ELEMENTS H D /2.014/ T /3.016/ C CI /13.003/ O OI /18.000/ N Ne Ar He Si S Cl X /195.083/ END SPECIES Ar ! Ar Ne ! Ne NCC(1) ! NCC(1) O2(2) ! O2(2) OH(3) ! OH(3) H(5) ! H(5) O(6) ! O(6) H2(7) ! H2(7) H2O(8) ! H2O(8) He(9) ! He(9) HO2(10) ! HO2(10) H2O2(11) ! H2O2(11) C2H6N(12) ! CH2CH2NH2(12) C2H6N(13) ! CH3CHNH2(13) C2H6N(14) ! CH3CH2NH(14) CH3(15) ! CH3(15) CH4(16) ! CH4(16) NH3(17) ! NH3(17) C2H5N(20) ! CH3CHNH(20) C2H4N(21) ! CH2CHNH(21) CH3CHN(22) ! CH3CHN(22) C2H5N(23) ! CH2CHNH2(23) C2H4(24) ! C2H4(24) CH2NH(25) ! CH2NH(25) CH2NH2(26) ! CH2NH2(26) CH2CNH(27) ! CH2CNH(27) HCN(28) ! HCN(28) CH3CN(29) ! CH3CN(29) CO(30) ! CO(30) CO2(31) ! CO2(31) HCO(32) ! HCO(32) CH(34) ! CH(34) CH2(T)(35) ! CH2(T)(35) CH2O(36) ! CH2O(36) HCCO(37) ! HCCO(37) C2H2(39) ! C2H2(39) CH2(S)(41) ! CH2(S)(41) N2(42) ! N2(42) CH2CO(45) ! CH2CO(45) C2H3(46) ! C2H3(46) C2H6(47) ! C2H6(47) C2H5(48) ! C2H5(48) CH3CO(50) ! CH3CO(50) CH3CHO(52) ! CH3CHO(52) N(53) ! N(53) NO(54) ! NO(54) N2O(55) ! N2O(55) NH(S)(56) ! NH(S)(56) NO2(57) ! NO2(57) NH(T)(59) ! NH(T)(59) HNO(62) ! HNO(62) H2CN(68) ! H2CN(68) HCNH(69) ! HCNH(69) HNCO(74) ! HNCO(74) NCO(76) ! NCO(76) CN(77) ! CN(77) HNC(87) ! HNC(87) CH3CNO(99) ! CH3CNO(99) S(106) ! CHCHNO(106) CH2CN(124) ! CH2CN(124) CH3OO(127) ! CH3OO(127) C2H4N(150) ! N[C]=C(150) C2H4N(151) ! NC=[CH](151) C2H5N(152) ! [C-](=[NH2+])C(152) C2H4N(164) ! N1[CH]C1(164) C2H3N(165) ! [CH2]C=[N](165) CHNO(171) ! [O]C=[N](171) C2H3N(178) ! C1C=N1(178) C2H2O(192) ! [CH2][C]=O(192) C2H5N(196) ! C2H5N(196) C2H5N(201) ! CN=C(201) C2H5N(205) ! [CH2]N[CH2](205) C2H2O(206) ! ketene(T)(206) CHNO(290) ! O1C=N1(290) C2H2O(320) ! oxirene(320) N2(324) ! [N]=[N](324) END THERM ALL 300.000 1000.000 5000.000 ! Thermo library: BurkeH2O2 Ar Ar 1 G 100.000 5000.000 3459.60 1 2.49999999E+00 9.20455546E-12-3.58608293E-15 6.15198922E-19-3.92041801E-23 2 -7.44999993E+02 4.36630369E+00 2.50000000E+00 9.24384602E-15-1.36779837E-17 3 6.66184769E-21-1.00106912E-24-7.45000000E+02 4.36630363E+00 4 ! Thermo library: primaryThermoLibrary Ne Ne 1 G 200.000 6000.000 1000.00 1 2.50000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -7.45375000E+02 3.35532000E+00 2.50000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-7.45375000E+02 3.35532000E+00 4 ! Thermo library: CHN NCC(1) N 1C 2H 7 G 100.000 5000.000 958.03 1 6.77205687E+00 1.63521689E-02-5.53932344E-06 9.77818649E-10-6.86694651E-14 2 -8.94011070E+03-1.03727238E+01 3.04247522E+00 1.38233811E-02 2.67602798E-05 3 -4.12196421E-08 1.60890653E-11-7.39483559E+03 1.17957021E+01 4 ! Thermo library: BurkeH2O2 O2(2) O 2 G 100.000 5000.000 1087.71 1 3.16427276E+00 1.69453634E-03-8.00335210E-07 1.59029941E-10-1.14890929E-14 2 -1.04844563E+03 6.08302733E+00 3.53763686E+00-1.22827512E-03 5.36758632E-06 3 -4.93128124E-09 1.45955121E-12-1.03799025E+03 4.67179809E+00 4 ! Thermo library: BurkeH2O2 OH(3) O 1H 1 G 100.000 5000.000 1005.25 1 2.88225261E+00 1.03868777E-03-2.35651841E-07 1.40229397E-11 6.34581421E-16 2 3.66956005E+03 5.59053215E+00 3.48579580E+00 1.33396761E-03-4.70043127E-06 3 5.64379019E-09-2.06317589E-12 3.41195703E+03 1.99787688E+00 4 ! Thermo library: BurkeH2O2 H(5) H 1 G 100.000 5000.000 3459.60 1 2.49999999E+00 9.20455546E-12-3.58608293E-15 6.15198922E-19-3.92041801E-23 2 2.54727081E+04-4.59566192E-01 2.50000000E+00 9.24384602E-15-1.36779837E-17 3 6.66184769E-21-1.00106912E-24 2.54727081E+04-4.59566246E-01 4 ! Thermo library: BurkeH2O2 O(6) O 1 G 100.000 5000.000 3459.60 1 2.49999999E+00 9.20455546E-12-3.58608293E-15 6.15198922E-19-3.92041801E-23 2 2.92267216E+04 5.11106776E+00 2.50000000E+00 9.24384602E-15-1.36779837E-17 3 6.66184769E-21-1.00106912E-24 2.92267216E+04 5.11106770E+00 4 ! Thermo library: BurkeH2O2 H2(7) H 2 G 100.000 5000.000 1962.85 1 2.74216175E+00 5.79573021E-04 1.97187073E-07-6.41063082E-11 4.95980228E-15 2 -5.52022532E+02 4.14250606E-01 3.42253762E+00 2.86647569E-04-4.14665826E-07 3 4.27544171E-10-9.38109437E-14-1.02978491E+03-3.86364834E+00 4 ! Thermo library: BurkeH2O2 H2O(8) O 1H 2 G 100.000 5000.000 1281.44 1 3.19560359E+00 1.95240027E-03-1.67118352E-07-2.97938167E-11 4.45138915E-15 2 -3.00687022E+04 4.04334565E+00 3.99882000E+00-5.54831105E-04 2.76774252E-06 3 -1.55664990E-09 3.02330437E-13-3.02745569E+04-3.08942233E-02 4 ! Thermo library: BurkeH2O2 He(9) He 1 G 100.000 5000.000 3459.60 1 2.49999999E+00 9.20455546E-12-3.58608293E-15 6.15198922E-19-3.92041801E-23 2 -7.44999993E+02 9.14221584E-01 2.50000000E+00 9.24384602E-15-1.36779837E-17 3 6.66184769E-21-1.00106912E-24-7.45000000E+02 9.14221530E-01 4 ! Thermo library: BurkeH2O2 HO2(10) O 2H 1 G 100.000 5000.000 923.91 1 4.15133254E+00 1.91146014E-03-4.11274138E-07 6.34956851E-11-4.86384723E-15 2 8.34207514E+01 3.09340719E+00 4.02955993E+00-2.63985086E-03 1.52230248E-05 3 -1.71671332E-08 6.26738052E-12 3.22677279E+02 4.84427984E+00 4 ! Thermo library: BurkeH2O2 H2O2(11) O 2H 2 G 100.000 5000.000 923.27 1 4.95150616E+00 3.54231848E-03-1.01041910E-06 1.61944794E-10-1.10211913E-14 2 -1.81227893E+04-1.52905314E+00 3.72867429E+00 4.13372266E-03 5.67516696E-06 3 -1.01868353E-08 4.28624417E-12-1.76963961E+04 5.35910090E+00 4 ! Thermo library: CHN + radical(Cs_P) C2H6N(12) N 1C 2H 6 G 100.000 5000.000 967.28 1 6.63592884E+00 1.39415719E-02-4.72837580E-06 8.38799493E-10-5.89079307E-14 2 1.59428287E+04-6.99020603E+00 3.07652322E+00 1.46364061E-02 1.59422280E-05 3 -2.83968732E-08 1.13712705E-11 1.72875029E+04 1.34548449E+01 4 ! Thermo library: CHN C2H6N(13) N 1C 2H 6 G 100.000 5000.000 1263.30 1 5.95110429E+00 1.65943736E-02-6.43231373E-06 1.13632026E-09-7.59358651E-14 2 1.15720657E+04-4.29629601E+00 2.87267922E+00 2.18557984E-02-7.35320670E-06 3 -1.18853353E-09 9.40389395E-13 1.27078110E+04 1.26915693E+01 4 ! Thermo library: CHN + radical(NHJ_C) C2H6N(14) N 1C 2H 6 G 100.000 5000.000 968.64 1 6.94072485E+00 1.39112944E-02-4.75365543E-06 8.56600597E-10-6.10516725E-14 2 1.50576910E+04-1.01308636E+01 3.08997292E+00 1.34308266E-02 2.13594206E-05 3 -3.45761470E-08 1.35903916E-11 1.65722207E+04 1.22911776E+01 4 ! Thermo library: thermo_DFT_CCSDTF12_BAC CH3(15) C 1H 3 G 100.000 5000.000 697.71 1 3.09511187E+00 5.55429874E-03-1.88158855E-06 3.13335012E-10-2.05195181E-14 2 1.65426192E+04 4.20297876E+00 3.96043098E+00 5.92939934E-04 8.78575390E-06 3 -9.88030557E-09 3.63234580E-12 1.64218818E+04 3.39865631E-01 4 ! Thermo library: thermo_DFT_CCSDTF12_BAC CH4(16) C 1H 4 G 100.000 5000.000 1086.61 1 8.96899904E-01 1.14802879E-02-4.58703231E-06 8.32100428E-10-5.68216194E-14 2 -9.69003669E+03 1.40556377E+01 4.20580798E+00-5.34377065E-03 2.50474501E-05 3 -2.12821270E-08 5.93585577E-12-1.01350054E+04-9.21383779E-01 4 ! Thermo library: thermo_DFT_CCSDTF12_BAC NH3(17) N 1H 3 G 100.000 5000.000 1006.46 1 2.11881835E+00 6.46454860E-03-2.32163355E-06 3.94782409E-10-2.58571754E-14 2 -6.22767953E+03 9.37704004E+00 4.08956642E+00-2.03394060E-03 1.13370052E-05 3 -9.31010012E-09 2.54812752E-12-6.59063891E+03 2.42291081E-02 4 ! Thermo library: CHN C2H5N(20) N 1C 2H 5 G 100.000 5000.000 980.55 1 5.13199689E+00 1.51181214E-02-5.65285551E-06 1.05025287E-09-7.54010354E-14 2 2.71106220E+03-3.12702575E+00 3.50164243E+00 4.04639661E-03 3.83954534E-05 3 -4.73306505E-08 1.69594108E-11 3.88277355E+03 9.05089967E+00 4 ! Thermo library: CHN + radical(Allyl_P) C2H4N(21) N 1C 2H 4 G 100.000 5000.000 952.09 1 7.38654837E+00 9.13073415E-03-2.69894802E-06 5.05484703E-10-3.94710810E-14 2 2.02841164E+04-1.49068595E+01 3.50368577E+00 1.56481637E-03 4.68420040E-05 3 -6.05266537E-08 2.29035140E-11 2.21057607E+04 9.31878305E+00 4 ! Thermo library: CHN + radical(N3dJ_C) CH3CHN(22) N 1C 2H 4 G 100.000 5000.000 976.12 1 6.19534143E+00 1.10571269E-02-3.95340813E-06 7.41835492E-10-5.43427968E-14 2 2.08069548E+04-8.39216767E+00 3.42506345E+00 6.27215828E-03 2.81976590E-05 3 -3.81530973E-08 1.42450048E-11 2.21165598E+04 8.84381189E+00 4 ! Thermo library: CHN C2H5N(23) N 1C 2H 5 G 100.000 5000.000 943.44 1 7.36083002E+00 1.10351700E-02-3.31731860E-06 5.77775347E-10-4.20252102E-14 2 3.91423597E+03-1.51369112E+01 3.26407843E+00 8.23096678E-03 3.32159804E-05 3 -4.79032236E-08 1.88109244E-11 5.58504286E+03 9.14715640E+00 4 ! Thermo library: thermo_DFT_CCSDTF12_BAC C2H4(24) C 2H 4 G 100.000 5000.000 979.36 1 3.55660610E+00 1.10627464E-02-4.17019079E-06 7.85586770E-10-5.70060829E-14 2 4.32046489E+03 2.17719479E+00 3.97471606E+00-4.75844285E-03 4.16783770E-05 3 -4.51392516E-08 1.54224761E-11 4.91540746E+03 3.62430844E+00 4 ! Thermo library: thermo_DFT_CCSDTF12_BAC CH2NH(25) N 1C 1H 3 G 100.000 5000.000 1033.18 1 2.32338867E+00 1.04448413E-02-4.32965975E-06 8.21579810E-10-5.83881725E-14 2 9.38546148E+03 1.07520041E+01 4.09205464E+00-4.71644334E-03 2.97522200E-05 3 -2.89584745E-08 9.03213172E-12 9.46372316E+03 4.30889431E+00 4 ! Thermo library: thermo_DFT_CCSDTF12_BAC CH2NH2(26) N 1C 1H 4 G 100.000 5000.000 2604.13 1 9.55226678E+00 4.36247943E-03-1.55594030E-06 2.28613306E-10-1.22679702E-14 2 1.26585848E+04-2.99535696E+01 3.65406419E+00 1.13451684E-02-4.38161396E-06 3 6.45710673E-10-2.29061252E-14 1.64348075E+04 5.49925630E+00 4 ! Thermo group additivity estimation: group(N3d-CdH) + group(Cds-CdsHH) + group(Cdd-N3dCd) CH2CNH(27) N 1C 2H 3 G 100.000 5000.000 963.26 1 5.69299321E+00 8.65451683E-03-2.99255976E-06 5.45335645E-10-3.93679771E-14 2 2.19749761E+04-5.22473024E+00 3.53676360E+00 5.31580405E-03 2.13488489E-05 3 -2.95496057E-08 1.12097849E-11 2.29606702E+04 8.05734985E+00 4 ! Thermo library: thermo_DFT_CCSDTF12_BAC HCN(28) N 1C 1H 1 G 100.000 5000.000 953.94 1 3.93175276E+00 2.81629546E-03-9.36081121E-07 1.65077085E-10-1.16600298E-14 2 1.40750582E+04 7.75662072E-01 3.35595362E+00 1.81447783E-03 6.01094520E-06 3 -8.44395868E-09 3.22834758E-12 1.43403525E+04 4.34112721E+00 4 ! Thermo library: thermo_DFT_CCSDTF12_BAC CH3CN(29) N 1C 2H 3 G 100.000 5000.000 1014.54 1 4.35925309E+00 1.09112429E-02-4.25699353E-06 7.82384894E-10-5.47667404E-14 2 6.81501255E+03 7.06417129E-01 3.58342018E+00 6.02830639E-03 1.47044302E-05 3 -1.93932233E-08 6.81816379E-12 7.38115517E+03 6.47487582E+00 4 ! Thermo library: BurkeH2O2 CO(30) O 1C 1 G 100.000 5000.000 1669.93 1 2.92795649E+00 1.81930595E-03-8.35308214E-07 1.51269114E-10-9.88871766E-15 2 -1.42927086E+04 6.51156822E+00 3.59709666E+00-1.02423781E-03 2.83336350E-06 3 -1.75825191E-09 3.42586966E-13-1.43431899E+04 3.45822175E+00 4 ! Thermo library: BurkeH2O2 CO2(31) O 2C 1 G 100.000 5000.000 988.19 1 4.55071273E+00 2.90728244E-03-1.14643077E-06 2.25797669E-10-1.69526203E-14 2 -4.89860093E+04-1.45662083E+00 3.27790244E+00 2.75782522E-03 7.12787107E-06 3 -1.07854581E-08 4.14227785E-12-4.84756031E+04 5.97855846E+00 4 ! Thermo library: thermo_DFT_CCSDTF12_BAC HCO(32) O 1C 1H 1 G 100.000 5000.000 1112.10 1 3.05136186E+00 4.11706437E-03-1.75586433E-06 3.29302821E-10-2.29174030E-14 2 3.93007923E+03 7.67464289E+00 4.05936407E+00-1.73846452E-03 9.14981041E-06 3 -8.01131526E-09 2.25737264E-12 3.84377617E+03 3.32449702E+00 4 ! Thermo library: DFT_QCI_thermo CH(34) C 1H 1 G 100.000 5000.000 971.38 1 2.74762568E+00 1.51393905E-03-5.37629343E-07 8.28576416E-11-4.75153399E-15 2 7.07989167E+04 6.03600096E+00 3.53295839E+00-5.83811011E-05-6.75423214E-07 3 1.93832083E-09-9.35475291E-13 7.05679540E+04 1.86652484E+00 4 ! Thermo library: thermo_DFT_CCSDTF12_BAC CH2(T)(35) C 1H 2 G 100.000 5000.000 1101.44 1 3.15290349E+00 2.95890512E-03-9.70592569E-07 1.52925393E-10-9.41510146E-15 2 4.62185868E+04 4.76363359E+00 4.01171411E+00-1.59920302E-04 3.27673733E-06 3 -2.41781609E-09 5.74073108E-13 4.60293987E+04 5.37381040E-01 4 ! Thermo library: thermo_DFT_CCSDTF12_BAC CH2O(36) O 1C 1H 2 G 100.000 5000.000 1070.44 1 2.21172442E+00 7.94265679E-03-3.34193053E-06 6.28471401E-10-4.40431446E-14 2 -1.42974456E+04 1.13048985E+01 4.12927802E+00-4.08401318E-03 2.03229341E-05 3 -1.83524244E-08 5.37975522E-12-1.44294640E+04 3.22418463E+00 4 ! Thermo library: thermo_DFT_CCSDTF12_BAC HCCO(37) O 1C 2H 1 G 100.000 5000.000 1026.66 1 5.77906613E+00 3.70727510E-03-1.36679925E-06 2.43623021E-10-1.67889168E-14 2 1.95487093E+04-4.72476373E+00 3.46982723E+00 1.03257355E-02-7.56140990E-06 3 2.00944409E-09 1.02736414E-13 2.01482281E+04 7.08725028E+00 4 ! Thermo library: thermo_DFT_CCSDTF12_BAC C2H2(39) C 2H 2 G 100.000 5000.000 962.80 1 5.02077795E+00 4.22470269E-03-1.42000136E-06 2.56105133E-10-1.84544863E-14 2 2.55666188E+04-6.22588857E+00 3.11331938E+00 6.02058533E-03 5.33031324E-06 3 -1.10293378E-08 4.62859887E-12 2.62179845E+04 4.37938268E+00 4 ! Thermo library: thermo_DFT_CCSDTF12_BAC CH2(S)(41) C 1H 2 G 100.000 5000.000 1446.03 1 2.62900675E+00 3.94656961E-03-1.50056846E-06 2.54865905E-10-1.63175696E-14 2 5.05689083E+04 6.76474492E+00 4.10291411E+00-1.43574516E-03 5.43653900E-06 3 -3.56755894E-09 7.52445194E-13 5.02791049E+04-4.17774677E-01 4 ! Thermo library: BurkeH2O2 N2(42) N 2 G 100.000 5000.000 1817.04 1 2.97590177E+00 1.64141027E-03-7.19721837E-07 1.25377654E-10-7.91526282E-15 2 -1.02584357E+03 5.53756806E+00 3.61262583E+00-1.00893007E-03 2.49898478E-06 3 -1.43375608E-09 2.58635681E-13-1.05110288E+03 2.65270376E+00 4 ! Thermo library: DFT_QCI_thermo CH2CO(45) O 1C 2H 2 G 100.000 5000.000 954.86 1 5.88243859E+00 5.80175566E-03-1.91267533E-06 3.35921266E-10-2.37401198E-14 2 -8.11472313E+03-6.74191744E+00 3.48302343E+00 8.32983690E-03 5.93440370E-06 3 -1.33942492E-08 5.73146817E-12-7.31353185E+03 6.51896483E+00 4 ! Thermo library: thermo_DFT_CCSDTF12_BAC C2H3(46) C 2H 3 G 100.000 5000.000 956.69 1 4.81087656E+00 6.59337838E-03-2.20129495E-06 4.04587872E-10-2.98091068E-14 2 3.37427523E+04-1.85774644E+00 3.83146115E+00-7.47448486E-04 2.72388708E-05 3 -3.26055590E-08 1.18614714E-11 3.44534845E+04 5.55913311E+00 4 ! Thermo library: thermo_DFT_CCSDTF12_BAC C2H6(47) C 2H 6 G 100.000 5000.000 1012.42 1 2.82848257E+00 1.73040568E-02-6.73334245E-06 1.23742024E-09-8.65676410E-14 2 -1.19978080E+04 5.93811707E+00 3.72239291E+00 1.65083841E-03 3.44175530E-05 3 -3.76858229E-08 1.24450657E-11-1.15575901E+04 4.68247999E+00 4 ! Thermo library: thermo_DFT_CCSDTF12_BAC C2H5(48) C 2H 5 G 100.000 5000.000 1006.87 1 3.53781010E+00 1.37311636E-02-5.29564638E-06 9.71482858E-10-6.80289490E-14 2 1.26351790E+04 5.15566048E+00 3.68746539E+00 3.06889693E-03 2.55873112E-05 3 -2.94076576E-08 9.94076215E-12 1.31153648E+04 6.96684864E+00 4 ! Thermo library: DFT_QCI_thermo CH3CO(50) O 1C 2H 3 G 100.000 5000.000 1011.57 1 4.39399998E+00 1.04823697E-02-4.12727295E-06 7.69397006E-10-5.45059171E-14 2 -3.15699378E+03 3.46497450E+00 3.63677897E+00 4.50842767E-03 1.80295451E-05 3 -2.25970534E-08 7.88627605E-12-2.54495151E+03 9.39482632E+00 4 ! Thermo library: DFT_QCI_thermo CH3CHO(52) O 1C 2H 4 G 100.000 5000.000 1028.81 1 4.08568882E+00 1.39060358E-02-5.59365394E-06 1.04608143E-09-7.38729265E-14 2 -2.20391558E+04 3.76773341E+00 3.57991319E+00 5.18996203E-03 2.26893060E-05 3 -2.73736957E-08 9.28455869E-12-2.13697369E+04 8.96975431E+00 4 ! Thermo library: GRI-Mech3.0-N N(53) N 1 G 100.000 5000.000 3459.60 1 2.49999999E+00 9.20455546E-12-3.58608293E-15 6.15198922E-19-3.92041801E-23 2 5.60986144E+04 4.19198864E+00 2.50000000E+00 9.24384602E-15-1.36779837E-17 3 6.66184769E-21-1.00106912E-24 5.60986144E+04 4.19198858E+00 4 ! Thermo library: thermo_DFT_CCSDTF12_BAC NO(54) O 1N 1 G 100.000 5000.000 1406.98 1 2.93794002E+00 1.75430211E-03-7.77035965E-07 1.42658630E-10-9.57892926E-15 2 1.00391110E+04 7.44035185E+00 3.55718369E+00-8.90593517E-04 2.98559505E-06 3 -2.08693970E-09 4.65970604E-13 9.95239674E+03 4.55250679E+00 4 ! Thermo library: thermo_DFT_CCSDTF12_BAC N2O(55) O 1N 2 G 100.000 5000.000 1026.61 1 4.61742785E+00 3.00864961E-03-1.29224171E-06 2.55914754E-10-1.88714260E-14 2 8.26677203E+03-1.07502599E+00 3.22183369E+00 4.41469435E-03 2.54409215E-06 3 -6.06073216E-09 2.45092024E-12 8.76576974E+03 6.72928682E+00 4 ! Thermo group additivity estimation: group(N1s-H) NH(S)(56) N 1H 1 G 100.000 5000.000 1062.36 1 2.86541534E+00 1.11216721E-03-2.35039829E-07 1.62480557E-11 1.62325416E-16 2 4.20941368E+04 5.31585528E+00 3.52232155E+00 8.15565769E-05-8.17011593E-07 3 1.65984188E-09-6.87455751E-13 4.18731469E+04 1.72373977E+00 4 ! Thermo library: thermo_DFT_CCSDTF12_BAC NO2(57) O 2N 1 G 100.000 5000.000 1003.64 1 4.42989913E+00 2.84572522E-03-1.26844172E-06 2.63832529E-10-2.02198342E-14 2 2.58153936E+03 2.40646946E+00 3.95016408E+00-1.10874097E-03 1.34095436E-05 3 -1.53100307E-08 5.30985898E-12 2.97329576E+03 6.19460333E+00 4 ! Thermo library: thermo_DFT_CCSDTF12_BAC NH(T)(59) N 1H 1 G 100.000 5000.000 1030.79 1 2.91320327E+00 1.04458507E-03-2.66505096E-07 2.82355131E-11-9.08404945E-16 2 4.22954822E+04 5.02246025E+00 3.52448909E+00-5.65765380E-07-6.76585800E-07 3 1.54232316E-09-6.71014480E-13 4.20989644E+04 1.71286895E+00 4 ! Thermo library: thermo_DFT_CCSDTF12_BAC HNO(62) O 1N 1H 1 G 100.000 5000.000 1248.00 1 2.64827165E+00 4.64391616E-03-2.01991191E-06 3.74707815E-10-2.55968067E-14 2 1.17551168E+04 1.01311499E+01 4.11013534E+00-2.22100261E-03 8.85072936E-06 3 -6.83158174E-09 1.69828348E-12 1.15599617E+04 3.43462962E+00 4 ! Thermo library: thermo_DFT_CCSDTF12_BAC H2CN(68) N 1C 1H 2 G 100.000 5000.000 1019.57 1 3.27304995E+00 6.57107787E-03-2.71236643E-06 5.18704444E-10-3.72257951E-14 2 2.75271574E+04 6.12404890E+00 4.01860628E+00-2.56293286E-03 1.98604850E-05 3 -2.02140314E-08 6.51106923E-12 2.76978478E+04 4.09535163E+00 4 ! Thermo library: thermo_DFT_CCSDTF12_BAC HCNH(69) N 1C 1H 2 G 100.000 5000.000 958.18 1 4.35403278E+00 4.59156823E-03-1.55737682E-06 2.85793248E-10-2.09028419E-14 2 3.34830616E+04 1.00914860E+00 3.91145775E+00-9.03468731E-04 1.85394458E-05 3 -2.16942469E-08 7.80053540E-12 3.39049429E+04 4.88430113E+00 4 ! Thermo library: thermo_DFT_CCSDTF12_BAC HNCO(74) O 1N 1C 1H 1G 100.000 5000.000 995.33 1 5.30106743E+00 4.13831367E-03-1.59303265E-06 3.02758108E-10-2.20424278E-14 2 -1.59971871E+04-3.13691500E+00 3.65569772E+00 5.33520885E-03 4.76456724E-06 3 -9.42200589E-09 3.79359677E-12-1.54014018E+04 6.14087936E+00 4 ! Thermo library: thermo_DFT_CCSDTF12_BAC NCO(76) O 1N 1C 1 G 100.000 5000.000 1034.87 1 4.80428960E+00 2.96042867E-03-1.31312737E-06 2.63697514E-10-1.95666842E-14 2 1.35312319E+04-1.38211136E+00 3.18934187E+00 5.04314168E-03 1.69694897E-06 3 -5.55921862E-09 2.32534662E-12 1.40882121E+04 7.54054631E+00 4 ! Thermo library: thermo_DFT_CCSDTF12_BAC CN(77) N 1C 1 G 100.000 5000.000 1502.00 1 2.91439477E+00 1.68258140E-03-7.16159518E-07 1.27829886E-10-8.39319716E-15 2 5.26412656E+04 7.28113216E+00 3.56379320E+00-8.71949328E-04 2.65898324E-06 3 -1.73597883E-09 3.62704256E-13 5.25392580E+04 4.19381339E+00 4 ! Thermo library: thermo_DFT_CCSDTF12_BAC HNC(87) N 1C 1H 1 G 100.000 5000.000 1028.01 1 4.36679660E+00 2.30245800E-03-7.12225532E-07 1.07291583E-10-6.40975136E-15 2 2.21572461E+04-9.98913891E-01 3.15965125E+00 7.29665195E-03-8.43302105E-06 3 5.39544638E-09-1.36081228E-12 2.23897347E+04 4.78183695E+00 4 ! Thermo group additivity estimation: group(O2s-CsCs) + group(N3s-CsHH) + group(Cs-CtHHH) + group(Ct-CtCs) CH3CNO(99) O 1N 1C 2H 3G 100.000 5000.000 2829.52 1 2.13470924E+01 1.49919564E-03-5.34081284E-07 6.30681962E-12 4.98847145E-15 2 -1.52313997E+04-9.78136803E+01 3.75253739E+00 1.98218713E-02-6.77498918E-06 3 6.58598655E-10 1.96413762E-14-2.65247178E+03 1.00035635E+01 4 ! Thermo group additivity estimation: group(N3s-CsHH) + group(Cds-CdsHH) + radical(Cds_P) S(106) O 1N 1C 2H 2G 100.000 5000.000 964.10 1 4.36277164E+00 6.62508881E-03-2.19742150E-06 3.91412461E-10-2.76997547E-14 2 3.35480091E+04 2.38555822E+00 3.77961057E+00 2.16300378E-03 1.54517182E-05 3 -1.92164746E-08 6.97664792E-12 3.39802716E+04 6.83628597E+00 4 ! Thermo library: thermo_DFT_CCSDTF12_BAC CH2CN(124) N 1C 2H 2 G 100.000 5000.000 1019.60 1 5.57105887E+00 6.80483574E-03-2.63821649E-06 4.87029060E-10-3.43068199E-14 2 2.93090216E+04-4.34755751E+00 3.45276009E+00 9.61201284E-03 1.32793516E-06 3 -7.39977324E-09 3.19742612E-12 3.00270355E+04 7.31588023E+00 4 ! Thermo library: thermo_DFT_CCSDTF12_BAC CH3OO(127) O 2C 1H 3 G 100.000 5000.000 1031.35 1 4.35022282E+00 1.07183275E-02-4.26215078E-06 7.89578335E-10-5.53846326E-14 2 -3.09810145E+02 4.08928223E+00 3.58600855E+00 6.15348645E-03 1.33269290E-05 3 -1.76581521E-08 6.13210932E-12 2.48233564E+02 9.74096027E+00 4 ! Thermo library: CHN + radical(Cds_P) C2H4N(150) N 1C 2H 4 G 100.000 5000.000 942.12 1 7.68786748E+00 8.05803045E-03-2.22478289E-06 3.78857348E-10-2.76971157E-14 2 3.37761212E+04-1.52346497E+01 3.18597824E+00 1.18470655E-02 1.61417365E-05 3 -2.98830486E-08 1.25840322E-11 3.53045005E+04 9.82542505E+00 4 ! Thermo library: CHN + radical(Cds_P) C2H4N(151) N 1C 2H 4 G 100.000 5000.000 942.12 1 7.68786748E+00 8.05803045E-03-2.22478289E-06 3.78857348E-10-2.76971157E-14 2 3.37761212E+04-1.52346497E+01 3.18597824E+00 1.18470655E-02 1.61417365E-05 3 -2.98830486E-08 1.25840322E-11 3.53045005E+04 9.82542505E+00 4 ! Thermo group additivity estimation: group(N3s-CsHH) + group(Cs-CsHHH) + group(CsJ2_singlet-CsH) C2H5N(152) N 1C 2H 5 G 100.000 5000.000 2367.36 1 1.21361039E+01 9.46845636E-03-3.83319639E-06 6.17776054E-10-3.61834342E-14 2 3.91843179E+04-3.38993105E+01 3.39708973E+00 1.96354594E-02-7.36129382E-06 3 7.90744526E-10 3.22048911E-14 4.46106856E+04 1.85142292E+01 4 ! Thermo library: CHN + radical(CCsJN) C2H4N(164) N 1C 2H 4 G 100.000 5000.000 1036.94 1 6.36603141E+00 1.23968575E-02-6.02309001E-06 1.29093283E-09-9.93273921E-14 2 3.17592203E+04-9.43073112E+00 3.64991655E+00-1.06992157E-03 4.80941361E-05 3 -5.57703855E-08 1.90265717E-11 3.36098092E+04 9.97866632E+00 4 ! Thermo library: CHN + radical(N3dJ_C) + radical(Allyl_P) C2H3N(165) N 1C 2H 3 G 100.000 5000.000 947.52 1 8.46137988E+00 5.05067647E-03-9.88698831E-07 1.94548611E-10-1.82059721E-14 2 3.83750331E+04-2.02369493E+01 3.42634461E+00 3.79802638E-03 3.66268536E-05 3 -5.13421976E-08 2.01944504E-11 4.03395803E+04 9.11451701E+00 4 ! Thermo library: thermo_DFT_CCSDTF12_BAC + radical(RC=COJ) + radical(N3dJ_C) CHNO(171) O 1N 1C 1H 1G 100.000 5000.000 1010.70 1 6.94484322E+00 4.12251546E-03-1.93106007E-06 4.48212520E-10-3.68985528E-14 2 1.64208098E+04-1.23929111E+01 3.60519235E+00 3.12765820E-03 2.06378257E-05 3 -2.83511775E-08 1.05280970E-11 1.78217759E+04 7.34554201E+00 4 ! Thermo group additivity estimation: group(N3d-CdCs) + group(Cs-CsCsCsCs) + group(Cd-N3dCsH) + ring(Cyclopropene) C2H3N(178) N 1C 2H 3 G 100.000 5000.000 958.07 1 9.62221004E+00-2.69311087E-04 6.54291153E-07-3.89529126E-11-5.46879638E-15 2 3.69034521E+04-5.00180122E+01 3.58164605E+00-9.13688321E-04 4.21575726E-05 3 -5.70967525E-08 2.22361372E-11 3.92479286E+04-1.49396503E+01 4 ! Thermo library: DFT_QCI_thermo + radical(CJC=O) + radical(CsCJ=O) C2H2O(192) O 1C 2H 2 G 100.000 5000.000 1030.78 1 6.10653699E+00 6.25988487E-03-2.43244477E-06 4.78589037E-10-3.54628258E-14 2 1.84223474E+04-4.88585799E+00 3.44946289E+00 8.89168030E-03 4.91254180E-06 3 -1.14992952E-08 4.62250696E-12 1.93780737E+04 9.99240814E+00 4 ! Thermo library: CHN C2H5N(196) N 1C 2H 5 G 100.000 5000.000 990.44 1 7.16347363E+00 1.27727830E-02-5.43334228E-06 1.15957324E-09-9.16809670E-14 2 1.11864449E+04-1.65287498E+01 3.76879505E+00-8.02769018E-03 7.83340332E-05 3 -9.04046862E-08 3.19003859E-11 1.35515531E+04 8.36104775E+00 4 ! Thermo group additivity estimation: group(N3d-CdCs) + group(Cs-(N3dCd)HHH) + group(Cd-N3dHH) C2H5N(201) N 1C 2H 5 G 100.000 5000.000 1009.67 1 4.39923422E+00 1.60261070E-02-6.22333675E-06 1.14720808E-09-8.06292346E-14 2 7.71931550E+03 1.12761831E+00 3.44485164E+00 7.35417788E-03 2.51602669E-05 3 -3.17901146E-08 1.10993905E-11 8.54678817E+03 8.88448956E+00 4 ! Thermo library: thermo_DFT_CCSDTF12_BAC + radical(CCsJN) + radical(CCsJN) C2H5N(205) N 1C 2H 5 G 100.000 5000.000 2638.90 1 1.97392426E+01 2.75549947E-04-6.79880803E-07 1.09503519E-10-4.24665920E-15 2 2.56255217E+04-8.71940200E+01 3.95599030E+00 1.71479144E-02-6.26216607E-06 3 5.07142949E-10 5.40142348E-14 3.64109039E+04 8.91864699E+00 4 ! Thermo library: DFT_QCI_thermo C2H2O(206) O 1C 2H 2 G 100.000 5000.000 969.37 1 7.73867204E+00 3.93420109E-03-1.33181853E-06 2.69015167E-10-2.15546077E-14 2 1.67207915E+04-1.46539429E+01 3.32150351E+00 9.95650310E-03 8.23488828E-06 3 -1.92986380E-08 8.37463908E-12 1.81505842E+04 9.47662651E+00 4 ! Thermo group additivity estimation: group(N3s-CsHH) + group(Cds-CdsCsCs) + ring(oxirene) CHNO(290) O 1N 1C 1H 1G 100.000 5000.000 884.75 1 -2.72294541E+00 1.69825738E-02-8.95582835E-06 1.71271306E-09-1.15433158E-13 2 4.89222196E+04 4.00120274E+01 3.88384024E+00 1.19223277E-02-4.24383247E-05 3 5.86358002E-08-2.51554976E-11 4.67821306E+04 3.45958180E+00 4 ! Thermo library: DFT_QCI_thermo C2H2O(320) O 1C 2H 2 G 100.000 5000.000 945.06 1 6.90179203E+00 4.59358555E-03-1.36479337E-06 2.32153049E-10-1.65660242E-14 2 3.02283477E+04-1.08671037E+01 3.31418303E+00 1.19134028E-02-4.99730688E-07 3 -9.18390340E-09 4.80372355E-12 3.12576706E+04 8.09650660E+00 4 ! Thermo library: thermo_DFT_CCSDTF12_BAC + radical(N3dJ_N) + radical(N3dJ_N) N2(324) N 2 G 100.000 5000.000 2149.92 1 4.61874795E+00-5.97414428E-04 2.44151279E-07-2.79348027E-11 1.14305955E-15 2 3.45177654E+04 1.28399548E+00 4.00100512E+00 4.01485554E-04-3.47825586E-07 3 1.23085113E-10-1.26335424E-14 3.48181510E+04 4.81794101E+00 4 END REACTIONS KCAL/MOLE MOLES ! Reaction index: Chemkin #1188; RMG #6983 ! Template reaction: Disproportionation ! Flux pairs: C2H4N(164), C2H5N(196); C2H6N(12), C2H5N(23); ! Estimated using template [C_sec_rad;Cpri_Rrad] for rate rule [C_rad/H/NonDeN;Cpri_Rrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H4N(164)+C2H6N(12)=C2H5N(196)+C2H5N(23) 2.529580e+08 1.000 0.238 ! Reaction index: Chemkin #1157; RMG #2894 ! Template reaction: Disproportionation ! Flux pairs: C2H6N(12), C2H5N(23); C2H4N(164), C2H5N(196); ! Estimated using template [C_sec_rad;Cpri_Rrad] for rate rule [C_rad/H/NonDeN;Cpri_Rrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H4N(164)+C2H6N(12)=C2H5N(23)+C2H5N(196) 2.529580e+08 1.000 0.238 ! Reaction index: Chemkin #1; RMG #1 ! Library reaction: BurkeH2O2inArHe ! Flux pairs: O2(2), OH(3); H(5), O(6); O2(2)+H(5)=O(6)+OH(3) 1.040000e+14 0.000 15.286 ! Reaction index: Chemkin #2; RMG #2 ! Library reaction: BurkeH2O2inArHe O(6)+H2(7)=H(5)+OH(3) 3.818000e+12 0.000 7.948 DUPLICATE ! Reaction index: Chemkin #3; RMG #2 ! Library reaction: BurkeH2O2inArHe O(6)+H2(7)=H(5)+OH(3) 8.792000e+14 0.000 19.170 DUPLICATE ! Reaction index: Chemkin #4; RMG #3 ! Library reaction: BurkeH2O2inArHe ! Flux pairs: OH(3), H2O(8); H2(7), H(5); OH(3)+H2(7)=H(5)+H2O(8) 2.160000e+08 1.510 3.430 ! Reaction index: Chemkin #5; RMG #4 ! Library reaction: BurkeH2O2inArHe ! Flux pairs: OH(3), H2O(8); OH(3), O(6); OH(3)+OH(3)=O(6)+H2O(8) 3.340000e+04 2.420 -1.930 ! Reaction index: Chemkin #6; RMG #5 ! Library reaction: BurkeH2O2inArHe ! Flux pairs: H2(7), H(5); H2(7), H(5); H2(7)+M=H(5)+H(5)+M 4.577e+19 -1.400 104.380 H2(7)/2.50/ H2O(8)/12.00/ CO(30)/1.90/ CO2(31)/3.80/ Ar/0.00/ He(9)/0.00/ ! Reaction index: Chemkin #7; RMG #6 ! Library reaction: BurkeH2O2inArHe ! Flux pairs: H2(7), H(5); Ar, Ar; Ar, H(5); Ar+H2(7)=Ar+H(5)+H(5) 5.840000e+18 -1.100 104.380 ! Reaction index: Chemkin #8; RMG #7 ! Library reaction: BurkeH2O2inArHe ! Flux pairs: H2(7), H(5); He(9), He(9); He(9), H(5); He(9)+H2(7)=He(9)+H(5)+H(5) 5.840000e+18 -1.100 104.380 ! Reaction index: Chemkin #9; RMG #8 ! Library reaction: BurkeH2O2inArHe ! Flux pairs: O(6), O2(2); O(6), O2(2); O(6)+O(6)+M=O2(2)+M 6.165e+15 -0.500 0.000 H2O(8)/12.00/ CO(30)/1.90/ CO2(31)/3.80/ Ar/0.00/ He(9)/0.00/ H2(7)/2.50/ ! Reaction index: Chemkin #10; RMG #9 ! Library reaction: BurkeH2O2inArHe ! Flux pairs: O(6), O2(2); Ar, Ar; O(6), Ar; Ar+O(6)+O(6)=Ar+O2(2) 1.886000e+13 0.000 -1.788 ! Reaction index: Chemkin #11; RMG #10 ! Library reaction: BurkeH2O2inArHe ! Flux pairs: O(6), O2(2); He(9), He(9); O(6), He(9); He(9)+O(6)+O(6)=He(9)+O2(2) 1.886000e+13 0.000 -1.788 ! Reaction index: Chemkin #12; RMG #11 ! Library reaction: BurkeH2O2inArHe ! Flux pairs: O(6), OH(3); H(5), OH(3); O(6)+H(5)+M=OH(3)+M 4.714e+18 -1.000 0.000 H2(7)/2.50/ H2O(8)/12.00/ CO(30)/1.90/ CO2(31)/3.80/ Ar/0.75/ He(9)/0.75/ ! Reaction index: Chemkin #13; RMG #12 ! Library reaction: BurkeH2O2inArHe ! Flux pairs: H2O(8), H(5); H2O(8), OH(3); H2O(8)+M=H(5)+OH(3)+M 6.064e+27 -3.322 120.790 H2(7)/3.00/ H2O(8)/0.00/ CO(30)/1.90/ CO2(31)/3.80/ O2(2)/1.50/ He(9)/1.10/ N2(42)/2.00/ ! Reaction index: Chemkin #14; RMG #13 ! Library reaction: BurkeH2O2inArHe ! Flux pairs: H2O(8), H2O(8); H2O(8), H(5); H2O(8), OH(3); H2O(8)+H2O(8)=H(5)+OH(3)+H2O(8) 1.006000e+26 -2.440 120.180 ! Reaction index: Chemkin #15; RMG #14 ! Library reaction: BurkeH2O2inArHe ! Flux pairs: O2(2), HO2(10); H(5), HO2(10); O2(2)+H(5)(+M)=HO2(10)(+M) 4.651e+12 0.440 0.000 O2(2)/1.10/ H2(7)/3.00/ He(9)/1.20/ CO(30)/2.70/ H2O(8)/21.00/ CO2(31)/5.40/ N2(42)/1.50/ LOW/ 9.042e+19 -1.500 0.492 / TROE/ 5.000e-01 1e-30 1e+30 / ! Reaction index: Chemkin #16; RMG #15 ! Library reaction: BurkeH2O2inArHe ! Flux pairs: HO2(10), O2(2); H(5), H2(7); H(5)+HO2(10)=O2(2)+H2(7) 2.750000e+06 2.090 -1.451 ! Reaction index: Chemkin #17; RMG #16 ! Library reaction: BurkeH2O2inArHe ! Flux pairs: HO2(10), OH(3); H(5), OH(3); H(5)+HO2(10)=OH(3)+OH(3) 7.079000e+13 0.000 0.295 ! Reaction index: Chemkin #18; RMG #17 ! Library reaction: BurkeH2O2inArHe ! Flux pairs: HO2(10), O2(2); O(6), OH(3); O(6)+HO2(10)=O2(2)+OH(3) 2.850000e+10 1.000 -0.724 ! Reaction index: Chemkin #19; RMG #18 ! Library reaction: BurkeH2O2inArHe ! Flux pairs: HO2(10), O2(2); OH(3), H2O(8); OH(3)+HO2(10)=O2(2)+H2O(8) 2.890000e+13 0.000 -0.497 ! Reaction index: Chemkin #20; RMG #19 ! Library reaction: BurkeH2O2inArHe HO2(10)+HO2(10)=O2(2)+H2O2(11) 4.200000e+14 0.000 11.982 DUPLICATE ! Reaction index: Chemkin #21; RMG #19 ! Library reaction: BurkeH2O2inArHe HO2(10)+HO2(10)=O2(2)+H2O2(11) 1.300000e+11 0.000 -1.629 DUPLICATE ! Reaction index: Chemkin #22; RMG #20 ! Library reaction: BurkeH2O2inArHe ! Flux pairs: H2O2(11), OH(3); H2O2(11), OH(3); H2O2(11)(+M)=OH(3)+OH(3)(+M) 2.000e+12 0.900 48.749 H2(7)/3.70/ H2O(8)/7.50/ O2(2)/1.20/ N2(42)/1.50/ CO(30)/2.80/ H2O2(11)/7.70/ CO2(31)/1.60/ He(9)/0.65/ LOW/ 2.490e+24 -2.300 48.749 / TROE/ 4.300e-01 1e-30 1e+30 / ! Reaction index: Chemkin #23; RMG #21 ! Library reaction: BurkeH2O2inArHe ! Flux pairs: H2O2(11), H2O(8); H(5), OH(3); H(5)+H2O2(11)=OH(3)+H2O(8) 2.410000e+13 0.000 3.970 ! Reaction index: Chemkin #24; RMG #22 ! Library reaction: BurkeH2O2inArHe ! Flux pairs: H2O2(11), HO2(10); H(5), H2(7); H(5)+H2O2(11)=HO2(10)+H2(7) 4.820000e+13 0.000 7.950 ! Reaction index: Chemkin #25; RMG #23 ! Library reaction: BurkeH2O2inArHe ! Flux pairs: H2O2(11), HO2(10); O(6), OH(3); O(6)+H2O2(11)=OH(3)+HO2(10) 9.550000e+06 2.000 3.970 ! Reaction index: Chemkin #26; RMG #24 ! Library reaction: BurkeH2O2inArHe OH(3)+H2O2(11)=HO2(10)+H2O(8) 1.740000e+12 0.000 0.318 DUPLICATE ! Reaction index: Chemkin #27; RMG #24 ! Library reaction: BurkeH2O2inArHe OH(3)+H2O2(11)=HO2(10)+H2O(8) 7.590000e+13 0.000 7.270 DUPLICATE ! Reaction index: Chemkin #28; RMG #25 ! Library reaction: BurkeH2O2inArHe ! Flux pairs: HO2(10), H2O(8); H(5), O(6); H(5)+HO2(10)=O(6)+H2O(8) 2.900000e+08 1.550 -0.160 ! Reaction index: Chemkin #29; RMG #26 ! Library reaction: BurkeH2O2inArHe ! Flux pairs: H(5), H2O2(11); HO2(10), H2O2(11); H(5)+HO2(10)+M=H2O2(11)+M 6.000e+14 1.250 -0.270 ! Reaction index: Chemkin #30; RMG #27 ! Library reaction: BurkeH2O2inArHe ! Flux pairs: OH(3), O2(2); OH(3), H2(7); OH(3)+OH(3)=O2(2)+H2(7) 2.000000e+11 0.510 50.500 ! Reaction index: Chemkin #31; RMG #28 ! Library reaction: BurkeH2O2inArHe ! Flux pairs: H2O(8), O2(2); O(6), H2(7); O(6)+H2O(8)=O2(2)+H2(7) 1.070000e+10 0.970 68.700 ! Reaction index: Chemkin #32; RMG #29 ! Library reaction: BurkeH2O2inArHe ! Flux pairs: H2O2(11), O2(2); O(6), H2O(8); O(6)+H2O2(11)=O2(2)+H2O(8) 8.430000e+11 0.000 3.970 ! Reaction index: Chemkin #33; RMG #30 ! Library reaction: BurkeH2O2inArHe ! Flux pairs: O(6), HO2(10); OH(3), HO2(10); O(6)+OH(3)+M=HO2(10)+M 1.000e+15 0.000 0.000 ! Reaction index: Chemkin #34; RMG #721 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: H2(7), H2(7); H(5), H2(7); H(5), H2(7); H(5)+H(5)+H2(7)=H2(7)+H2(7) 1.000000e+17 -0.600 0.000 ! Reaction index: Chemkin #35; RMG #722 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: H2O(8), H2O(8); H(5), H2(7); H(5), H2(7); H(5)+H(5)+H2O(8)=H2(7)+H2O(8) 1.000000e+19 -1.000 0.000 ! Reaction index: Chemkin #36; RMG #1058 ! PDep reaction: PDepNetwork #13 ! Flux pairs: CH3(15), NCC(1); CH2NH2(26), NCC(1); CH3(15)+CH2NH2(26)(+M)=NCC(1)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.231e+01 2.066e-01 -4.762e-03 -1.346e-03 / CHEB/ -4.264e-01 3.382e-01 -1.140e-02 -1.578e-03 / CHEB/ -2.572e-02 1.710e-01 -1.326e-02 6.516e-04 / CHEB/ -3.091e-02 3.090e-02 -8.783e-03 1.761e-03 / CHEB/ -2.139e-01 -9.447e-03 2.116e-03 6.987e-04 / CHEB/ -2.576e-01 2.290e-02 1.146e-02 -1.270e-03 / ! Reaction index: Chemkin #37; RMG #57 ! Library reaction: Ethylamine ! Flux pairs: NCC(1), NH3(17); NCC(1), C2H4(24); NCC(1)=NH3(17)+C2H4(24) 4.900000e+04 2.650 65.100 ! Reaction index: Chemkin #38; RMG #51 ! Library reaction: Ethylamine ! Flux pairs: H(5), CH2NH2(26); CH2NH(25), CH2NH2(26); H(5)+CH2NH(25)=CH2NH2(26) 1.480000e+08 1.670 0.002 ! Reaction index: Chemkin #39; RMG #541 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: CH2NH2(26), CH2NH(25); O2(2), HO2(10); O2(2)+CH2NH2(26)=HO2(10)+CH2NH(25) 1.000000e+22 -3.090 6.752 ! Reaction index: Chemkin #40; RMG #543 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: CH2NH2(26), CH2NH(25); H(5), H2(7); H(5)+CH2NH2(26)=H2(7)+CH2NH(25) 4.000000e+08 1.500 -0.894 ! Reaction index: Chemkin #41; RMG #545 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: CH2NH2(26), CH2NH(25); O(6), OH(3); O(6)+CH2NH2(26)=OH(3)+CH2NH(25) 3.300000e+08 1.500 -0.894 ! Reaction index: Chemkin #42; RMG #547 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: CH2NH2(26), CH2NH(25); OH(3), H2O(8); OH(3)+CH2NH2(26)=H2O(8)+CH2NH(25) 2.400000e+06 2.000 -1.192 ! Reaction index: Chemkin #43; RMG #1037 ! Template reaction: Disproportionation ! Flux pairs: CH2NH2(26), CH2NH(25); HO2(10), H2O2(11); ! Estimated using average of templates [O_rad;N3s/H2_s_Cssrad] + [O_rad/NonDeO;N3s/H2_s_Rrad] for rate rule [O_rad/NonDeO;N3s/H2_s_Cssrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation HO2(10)+CH2NH2(26)=H2O2(11)+CH2NH(25) 5.276362e+05 2.345 -1.395 ! Reaction index: Chemkin #44; RMG #32 ! Library reaction: Ethylamine ! Flux pairs: NCC(1), C2H6N(13); H(5), H2(7); H(5)+NCC(1)=H2(7)+C2H6N(13) 1.160000e+13 0.000 3.585 ! Reaction index: Chemkin #45; RMG #41 ! Library reaction: Ethylamine ! Flux pairs: NCC(1), C2H6N(13); OH(3), H2O(8); OH(3)+NCC(1)=H2O(8)+C2H6N(13) 3.280000e+05 2.240 -3.040 ! Reaction index: Chemkin #46; RMG #1008 ! Template reaction: H_Abstraction ! Flux pairs: O(6), OH(3); NCC(1), C2H6N(13); ! Estimated using template [C_sec;O_atom_triplet] for rate rule [C/H2/NonDeN;O_atom_triplet] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction O(6)+NCC(1)=OH(3)+C2H6N(13) 1.289969e+04 2.830 7.497 ! Reaction index: Chemkin #47; RMG #1011 ! Template reaction: H_Abstraction ! Flux pairs: H2O2(11), HO2(10); C2H6N(13), NCC(1); ! Estimated using template [H2O2;C_sec_rad] for rate rule [H2O2;C_rad/H/NonDeCN] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction H2O2(11)+C2H6N(13)=HO2(10)+NCC(1) 1.571409e-04 4.566 1.730 ! Reaction index: Chemkin #48; RMG #1014 ! Template reaction: H_Abstraction ! Flux pairs: HO2(10), O2(2); C2H6N(13), NCC(1); ! Estimated using template [X_H;C_sec_rad] for rate rule [Orad_O_H;C_rad/H/NonDeCN] ! Euclidian distance = 2.23606797749979 ! family: H_Abstraction HO2(10)+C2H6N(13)=O2(2)+NCC(1) 3.641605e-02 4.032 13.710 ! Reaction index: Chemkin #49; RMG #1198 ! PDep reaction: PDepNetwork #29 ! Flux pairs: H(5), NCC(1); C2H6N(13), NCC(1); H(5)+C2H6N(13)(+M)=NCC(1)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 7.132e+00 9.700e-01 -7.849e-03 -9.283e-04 / CHEB/ 5.325e+00 -4.853e-02 -1.277e-02 -1.542e-03 / CHEB/ -9.876e-03 -1.982e-02 -5.474e-03 -7.636e-04 / CHEB/ -6.670e-01 1.192e-02 2.574e-03 8.972e-05 / CHEB/ -5.252e-01 3.202e-02 7.670e-03 6.357e-04 / CHEB/ -2.977e-01 3.316e-02 8.006e-03 7.081e-04 / ! Reaction index: Chemkin #50; RMG #1199 ! PDep reaction: PDepNetwork #29 ! Flux pairs: C2H6N(13), CH2NH2(26); H(5), CH3(15); H(5)+C2H6N(13)(+M)=CH3(15)+CH2NH2(26)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 6.134e+00 -4.296e-03 -1.669e-03 -4.076e-04 / CHEB/ 7.863e+00 -6.746e-03 -2.638e-03 -6.517e-04 / CHEB/ 9.816e-01 -2.174e-03 -9.010e-04 -2.453e-04 / CHEB/ -2.139e-01 2.780e-03 9.901e-04 2.009e-04 / CHEB/ -4.032e-01 5.715e-03 2.131e-03 4.788e-04 / CHEB/ -2.800e-01 5.476e-03 2.085e-03 4.876e-04 / ! Reaction index: Chemkin #51; RMG #1107 ! Template reaction: Disproportionation ! Flux pairs: C2H6N(13), NCC(1); CH2NH2(26), CH2NH(25); ! Estimated using template [Y_rad;N3s/H2_s_Cssrad] for rate rule [C_rad/H/NonDeN;N3s/H2_s_Cssrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation CH2NH2(26)+C2H6N(13)=CH2NH(25)+NCC(1) 3.200000e+06 1.870 -0.630 ! Reaction index: Chemkin #52; RMG #50 ! Library reaction: Ethylamine ! Flux pairs: C2H6N(13), H(5); C2H6N(13), C2H5N(23); C2H6N(13)=H(5)+C2H5N(23) 1.140000e+09 1.490 35.100 ! Reaction index: Chemkin #53; RMG #1148 ! Template reaction: Disproportionation ! Flux pairs: C2H6N(13), C2H5N(23); H(5), H2(7); ! From training reaction 4 used for H_rad;Cmethyl_Csrad ! Exact match found for rate rule [H_rad;Cmethyl_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation H(5)+C2H6N(13)=H2(7)+C2H5N(23) 1.083000e+13 0.000 0.000 ! Reaction index: Chemkin #54; RMG #1151 ! Template reaction: Disproportionation ! Flux pairs: C2H6N(13), C2H5N(23); O(6), OH(3); ! Estimated using average of templates [Y_1centerbirad;Cmethyl_Csrad] + [O_atom_triplet;Cmethyl_Rrad] for rate rule [O_atom_triplet;Cmethyl_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation O(6)+C2H6N(13)=OH(3)+C2H5N(23) 3.680353e+11 0.750 -0.445 ! Reaction index: Chemkin #55; RMG #1154 ! Template reaction: Disproportionation ! Flux pairs: C2H6N(13), C2H5N(23); HO2(10), H2O2(11); ! Estimated using average of templates [O_rad;Cmethyl_Csrad] + [O_rad/NonDeO;XH_s_Rrad] for rate rule [O_rad/NonDeO;Cmethyl_Csrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation HO2(10)+C2H6N(13)=H2O2(11)+C2H5N(23) 3.003453e+10 1.009 -0.600 ! Reaction index: Chemkin #56; RMG #1159 ! Template reaction: Disproportionation ! Flux pairs: C2H6N(13), C2H5N(23); O2(2), HO2(10); ! From training reaction 2 used for O2b;Cmethyl_Csrad ! Exact match found for rate rule [O2b;Cmethyl_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 6.0 ! family: Disproportionation O2(2)+C2H6N(13)=HO2(10)+C2H5N(23) 4.338000e+13 0.000 15.990 ! Reaction index: Chemkin #57; RMG #1162 ! Template reaction: Disproportionation ! Flux pairs: C2H6N(13), C2H5N(23); OH(3), H2O(8); ! From training reaction 13 used for O_pri_rad;Cmethyl_Csrad ! Exact match found for rate rule [O_pri_rad;Cmethyl_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation OH(3)+C2H6N(13)=H2O(8)+C2H5N(23) 7.230000e+13 0.000 0.000 ! Reaction index: Chemkin #58; RMG #1186 ! Template reaction: Disproportionation ! Flux pairs: C2H6N(13), C2H5N(23); C2H6N(13), NCC(1); ! Estimated using template [C_sec_rad;Cmethyl_Csrad] for rate rule [C_rad/H/NonDeN;Cmethyl_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C2H6N(13)+C2H6N(13)=C2H5N(23)+NCC(1) 2.423978e+12 -0.233 0.000 ! Reaction index: Chemkin #59; RMG #31 ! Library reaction: Ethylamine ! Flux pairs: NCC(1), C2H6N(12); H(5), H2(7); H(5)+NCC(1)=H2(7)+C2H6N(12) 1.600000e+13 0.000 8.174 ! Reaction index: Chemkin #60; RMG #40 ! Library reaction: Ethylamine ! Flux pairs: NCC(1), C2H6N(12); OH(3), H2O(8); OH(3)+NCC(1)=H2O(8)+C2H6N(12) 7.940000e+02 2.970 -1.040 ! Reaction index: Chemkin #61; RMG #48 ! Library reaction: Ethylamine ! Flux pairs: H(5), C2H6N(12); C2H5N(23), C2H6N(12); H(5)+C2H5N(23)=C2H6N(12) 3.140000e+07 1.770 3.729 ! Reaction index: Chemkin #62; RMG #55 ! Library reaction: Ethylamine ! Flux pairs: C2H6N(12), C2H6N(13); C2H6N(12)=C2H6N(13) 3.120000e+04 2.330 31.800 ! Reaction index: Chemkin #63; RMG #1009 ! Template reaction: H_Abstraction ! Flux pairs: O(6), OH(3); NCC(1), C2H6N(12); ! Estimated using an average for rate rule [C/H3/Cs;O_atom_triplet] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction O(6)+NCC(1)=OH(3)+C2H6N(12) 9.343447e+03 3.015 5.230 ! Reaction index: Chemkin #64; RMG #1012 ! Template reaction: H_Abstraction ! Flux pairs: H2O2(11), HO2(10); C2H6N(12), NCC(1); ! Estimated using an average for rate rule [H2O2;C_rad/H2/Cs] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction H2O2(11)+C2H6N(12)=HO2(10)+NCC(1) 1.773899e+00 3.328 1.143 ! Reaction index: Chemkin #65; RMG #1015 ! Template reaction: H_Abstraction ! Flux pairs: HO2(10), O2(2); C2H6N(12), NCC(1); ! Estimated using template [X_H;C_rad/H2/Cs] for rate rule [Orad_O_H;C_rad/H2/Cs] ! Euclidian distance = 2.0 ! family: H_Abstraction HO2(10)+C2H6N(12)=O2(2)+NCC(1) 3.062323e+00 3.295 9.354 ! Reaction index: Chemkin #66; RMG #1355 ! PDep reaction: PDepNetwork #32 ! Flux pairs: H(5), NCC(1); C2H6N(12), NCC(1); H(5)+C2H6N(12)(+M)=NCC(1)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 5.999e+00 9.926e-01 -3.000e-03 -7.696e-04 / CHEB/ 5.936e+00 -1.244e-02 -5.049e-03 -1.287e-03 / CHEB/ 2.148e-01 -6.572e-03 -2.622e-03 -6.477e-04 / CHEB/ -5.996e-01 3.839e-04 2.286e-04 9.016e-05 / CHEB/ -5.269e-01 5.714e-03 2.361e-03 6.181e-04 / CHEB/ -3.229e-01 7.786e-03 3.107e-03 7.634e-04 / ! Reaction index: Chemkin #67; RMG #1356 ! PDep reaction: PDepNetwork #32 ! Flux pairs: C2H6N(12), CH2NH2(26); H(5), CH3(15); H(5)+C2H6N(12)(+M)=CH3(15)+CH2NH2(26)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 6.000e+00 -1.420e-03 -6.449e-04 -2.024e-04 / CHEB/ 7.975e+00 -2.340e-03 -1.062e-03 -3.334e-04 / CHEB/ 1.007e+00 -1.073e-03 -4.865e-04 -1.523e-04 / CHEB/ -2.047e-01 3.876e-04 1.770e-04 5.565e-05 / CHEB/ -4.065e-01 1.431e-03 6.488e-04 2.025e-04 / CHEB/ -2.855e-01 1.712e-03 7.725e-04 2.393e-04 / ! Reaction index: Chemkin #68; RMG #1109 ! Template reaction: Disproportionation ! Estimated using template [Y_rad;N3s/H2_s_Cssrad] for rate rule [C_rad/H2/Cs;N3s/H2_s_Cssrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation CH2NH2(26)+C2H6N(12)=CH2NH(25)+NCC(1) 3.200000e+06 1.870 -0.630 ! Reaction index: Chemkin #69; RMG #1157 ! Template reaction: H_Abstraction ! Flux pairs: NCC(1), C2H6N(13); C2H6N(12), NCC(1); ! Estimated using template [C_sec;C_rad/H2/Cs] for rate rule [C/H2/NonDeN;C_rad/H2/Cs] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction C2H6N(12)+NCC(1)=C2H6N(13)+NCC(1) 4.613302e-04 4.441 4.631 ! Reaction index: Chemkin #70; RMG #1357 ! PDep reaction: PDepNetwork #32 ! Flux pairs: C2H6N(12), C2H6N(13); H(5), H(5); H(5)+C2H6N(12)(+M)=H(5)+C2H6N(13)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 4.162e+00 -5.040e-04 -2.367e-04 -7.908e-05 / CHEB/ 8.412e+00 -8.357e-04 -3.926e-04 -1.311e-04 / CHEB/ 1.250e+00 -3.976e-04 -1.868e-04 -6.243e-05 / CHEB/ -1.498e-01 1.127e-04 5.280e-05 1.750e-05 / CHEB/ -3.729e-01 4.867e-04 2.282e-04 7.589e-05 / CHEB/ -2.822e-01 6.041e-04 2.829e-04 9.394e-05 / ! Reaction index: Chemkin #71; RMG #1218 ! Template reaction: Disproportionation ! Flux pairs: H(5), H2(7); C2H6N(12), C2H5N(23); ! Estimated using an average for rate rule [H_rad;Cpri_Rrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation H(5)+C2H6N(12)=H2(7)+C2H5N(23) 3.620000e+12 0.000 0.000 ! Reaction index: Chemkin #72; RMG #1219 ! Template reaction: Disproportionation ! Flux pairs: OH(3), H2O(8); C2H6N(12), C2H5N(23); ! Estimated using an average for rate rule [O_pri_rad;Cpri_Rrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation OH(3)+C2H6N(12)=H2O(8)+C2H5N(23) 4.820000e+13 0.000 0.000 ! Reaction index: Chemkin #73; RMG #1220 ! Template reaction: Disproportionation ! Flux pairs: O2(2), HO2(10); C2H6N(12), C2H5N(23); ! Estimated using an average for rate rule [O2b;Cpri_Rrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation O2(2)+C2H6N(12)=HO2(10)+C2H5N(23) 8.562710e+11 0.000 7.425 ! Reaction index: Chemkin #74; RMG #1224 ! Template reaction: Disproportionation ! Flux pairs: HO2(10), H2O2(11); C2H6N(12), C2H5N(23); ! Estimated using template [O_rad/NonDeO;XH_s_Rrad] for rate rule [O_rad/NonDeO;Cpri_Rrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation HO2(10)+C2H6N(12)=H2O2(11)+C2H5N(23) 8.317871e+06 2.018 -1.200 ! Reaction index: Chemkin #75; RMG #1225 ! Template reaction: Disproportionation ! Flux pairs: C2H6N(13), NCC(1); C2H6N(12), C2H5N(23); ! Estimated using template [C_sec_rad;Cpri_Rrad] for rate rule [C_rad/H/NonDeN;Cpri_Rrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H6N(12)+C2H6N(13)=C2H5N(23)+NCC(1) 2.529580e+08 1.000 0.238 DUPLICATE ! Reaction index: Chemkin #76; RMG #1226 ! Template reaction: Disproportionation ! Estimated using an average for rate rule [C_rad/H2/Cs;Cpri_Rrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H6N(12)+C2H6N(12)=C2H5N(23)+NCC(1) 2.900000e+12 0.000 0.000 ! Reaction index: Chemkin #77; RMG #1227 ! Template reaction: Disproportionation ! From training reaction 6 used for C_rad/H2/Cs;Cmethyl_Csrad ! Exact match found for rate rule [C_rad/H2/Cs;Cmethyl_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C2H6N(12)+C2H6N(13)=C2H5N(23)+NCC(1) 6.900000e+13 -0.350 0.000 DUPLICATE ! Reaction index: Chemkin #78; RMG #1233 ! Template reaction: Disproportionation ! Flux pairs: O(6), OH(3); C2H6N(12), C2H5N(23); ! Estimated using average of templates [Y_1centerbirad;Cpri_Rrad] + [O_atom_triplet;XH_s_Rrad] for rate rule [O_atom_triplet;Cpri_Rrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation O(6)+C2H6N(12)=OH(3)+C2H5N(23) 1.433298e+11 0.625 -0.237 ! Reaction index: Chemkin #79; RMG #1328 ! Template reaction: Disproportionation ! Flux pairs: C2H6N(12), C2H5N(23); C2H6N(13), NCC(1); ! Estimated using template [C_sec_rad;Cpri_Rrad] for rate rule [C_rad/H/NonDeN;Cpri_Rrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H6N(12)+C2H6N(13)=C2H5N(23)+NCC(1) 2.529580e+08 1.000 0.238 DUPLICATE ! Reaction index: Chemkin #80; RMG #1330 ! Template reaction: Disproportionation ! Flux pairs: C2H6N(13), C2H5N(23); C2H6N(12), NCC(1); ! From training reaction 6 used for C_rad/H2/Cs;Cmethyl_Csrad ! Exact match found for rate rule [C_rad/H2/Cs;Cmethyl_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C2H6N(12)+C2H6N(13)=C2H5N(23)+NCC(1) 6.900000e+13 -0.350 0.000 DUPLICATE ! Reaction index: Chemkin #81; RMG #33 ! Library reaction: Ethylamine ! Flux pairs: NCC(1), C2H6N(14); H(5), H2(7); H(5)+NCC(1)=H2(7)+C2H6N(14) 5.470000e+12 0.000 6.907 ! Reaction index: Chemkin #82; RMG #42 ! Library reaction: Ethylamine ! Flux pairs: NCC(1), C2H6N(14); OH(3), H2O(8); OH(3)+NCC(1)=H2O(8)+C2H6N(14) 1.120000e+05 2.360 -2.860 ! Reaction index: Chemkin #83; RMG #1007 ! Template reaction: H_Abstraction ! Flux pairs: O(6), OH(3); NCC(1), C2H6N(14); ! From training reaction 684 used for N3s/H2/NonDeC;O_atom_triplet ! Exact match found for rate rule [N3s/H2/NonDeC;O_atom_triplet] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction O(6)+NCC(1)=OH(3)+C2H6N(14) 6.600000e+08 1.500 20.353 ! Reaction index: Chemkin #84; RMG #1010 ! Template reaction: H_Abstraction ! Flux pairs: H2O2(11), HO2(10); C2H6N(14), NCC(1); ! Estimated using template [O_sec;N3s_rad] for rate rule [H2O2;N3s_rad_pri] ! Euclidian distance = 2.23606797749979 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction H2O2(11)+C2H6N(14)=HO2(10)+NCC(1) 1.840000e+06 1.940 2.785 ! Reaction index: Chemkin #85; RMG #1013 ! Template reaction: H_Abstraction ! Flux pairs: HO2(10), O2(2); C2H6N(14), NCC(1); ! Estimated using template [X_H;N3s_rad] for rate rule [Orad_O_H;N3s_rad_pri] ! Euclidian distance = 2.23606797749979 ! family: H_Abstraction HO2(10)+C2H6N(14)=O2(2)+NCC(1) 4.479746e+07 1.503 6.347 ! Reaction index: Chemkin #86; RMG #1493 ! PDep reaction: PDepNetwork #34 ! Flux pairs: H(5), NCC(1); C2H6N(14), NCC(1); H(5)+C2H6N(14)(+M)=NCC(1)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 6.052e+00 9.913e-01 -3.444e-03 -8.376e-04 / CHEB/ 5.909e+00 -1.451e-02 -5.727e-03 -1.386e-03 / CHEB/ 1.729e-01 -7.171e-03 -2.783e-03 -6.568e-04 / CHEB/ -5.915e-01 1.360e-03 6.098e-04 1.714e-04 / CHEB/ -5.354e-01 7.580e-03 3.027e-03 7.385e-04 / CHEB/ -3.146e-01 9.482e-03 3.673e-03 8.505e-04 / ! Reaction index: Chemkin #87; RMG #1494 ! PDep reaction: PDepNetwork #34 ! Flux pairs: C2H6N(14), CH2NH2(26); H(5), CH3(15); H(5)+C2H6N(14)(+M)=CH3(15)+CH2NH2(26)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 5.822e+00 -1.591e-03 -7.157e-04 -2.206e-04 / CHEB/ 8.123e+00 -2.588e-03 -1.164e-03 -3.593e-04 / CHEB/ 1.049e+00 -1.093e-03 -4.927e-04 -1.530e-04 / CHEB/ -2.198e-01 6.014e-04 2.678e-04 8.034e-05 / CHEB/ -3.918e-01 1.751e-03 7.829e-04 2.381e-04 / CHEB/ -2.860e-01 1.956e-03 8.734e-04 2.653e-04 / ! Reaction index: Chemkin #88; RMG #1111 ! Template reaction: Disproportionation ! Estimated using template [N3s_rad;N3s/H2_s_Rrad] for rate rule [N3s_rad/H/NonDeC;N3s/H2_s_Cssrad] ! Euclidian distance = 3.605551275463989 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation CH2NH2(26)+C2H6N(14)=CH2NH(25)+NCC(1) 1.819890e+06 1.940 -1.150 ! Reaction index: Chemkin #89; RMG #1156 ! Template reaction: H_Abstraction ! Flux pairs: NCC(1), C2H6N(13); C2H6N(14), NCC(1); ! Estimated using template [C/H2/NonDeN;N3s_rad] for rate rule [C/H2/NonDeN;N3s_rad_pri] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction C2H6N(14)+NCC(1)=C2H6N(13)+NCC(1) 8.010000e+12 0.000 4.493 ! Reaction index: Chemkin #90; RMG #1477 ! PDep reaction: PDepNetwork #33 ! Flux pairs: C2H6N(14), C2H6N(13); C2H6N(14)(+M)=C2H6N(13)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ -4.306e+00 7.635e-01 -9.378e-02 -7.167e-03 / CHEB/ 1.234e+01 2.382e-01 2.692e-02 1.148e-03 / CHEB/ -1.878e-01 1.264e-01 5.832e-03 2.247e-03 / CHEB/ -1.203e-01 4.841e-02 -2.855e-03 1.489e-03 / CHEB/ -5.642e-02 1.967e-02 -2.984e-03 8.147e-05 / CHEB/ -2.758e-02 1.036e-02 -2.421e-04 -6.100e-04 / ! Reaction index: Chemkin #91; RMG #1495 ! PDep reaction: PDepNetwork #34 ! Flux pairs: C2H6N(14), C2H6N(13); H(5), H(5); H(5)+C2H6N(14)(+M)=H(5)+C2H6N(13)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 3.952e+00 -5.324e-04 -2.494e-04 -8.293e-05 / CHEB/ 8.593e+00 -8.751e-04 -4.101e-04 -1.364e-04 / CHEB/ 1.289e+00 -3.948e-04 -1.853e-04 -6.182e-05 / CHEB/ -1.427e-01 1.572e-04 7.305e-05 2.386e-05 / CHEB/ -3.719e-01 5.477e-04 2.557e-04 8.443e-05 / CHEB/ -2.823e-01 6.466e-04 3.020e-04 9.977e-05 / ! Reaction index: Chemkin #92; RMG #1228 ! Template reaction: Disproportionation ! Estimated using template [N3s_rad/H/NonDe;XH_s_Rrad] for rate rule [N3s_rad/H/NonDeC;Cpri_Rrad] ! Euclidian distance = 1.4142135623730951 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H6N(12)+C2H6N(14)=C2H5N(23)+NCC(1) 3.266803e+05 2.315 0.265 ! Reaction index: Chemkin #93; RMG #1229 ! Template reaction: Disproportionation ! Estimated using template [N3s_rad/H/NonDe;XH_s_Rrad] for rate rule [N3s_rad/H/NonDeC;Cmethyl_Csrad] ! Euclidian distance = 2.23606797749979 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C2H6N(14)+C2H6N(13)=C2H5N(23)+NCC(1) 4.900204e+05 2.315 0.265 ! Reaction index: Chemkin #94; RMG #1302 ! Template reaction: H_Abstraction ! Flux pairs: C2H6N(12), NCC(1); NCC(1), C2H6N(14); ! Estimated using template [N3s/H2/NonDeC;Cs_rad] for rate rule [N3s/H2/NonDeC;C_rad/H2/Cs] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction C2H6N(12)+NCC(1)=C2H6N(14)+NCC(1) 3.200000e+06 1.870 13.243 ! Reaction index: Chemkin #95; RMG #1351 ! PDep reaction: PDepNetwork #31 ! Flux pairs: C2H6N(12), C2H6N(14); C2H6N(12)(+M)=C2H6N(14)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ -8.929e-01 5.224e-01 -8.726e-02 5.577e-03 / CHEB/ 9.217e+00 4.352e-01 -1.181e-02 -7.363e-03 / CHEB/ -2.080e-01 1.641e-01 4.235e-03 4.979e-04 / CHEB/ -1.121e-01 3.073e-02 4.322e-03 2.267e-03 / CHEB/ -3.430e-02 -1.184e-02 2.117e-03 1.472e-03 / CHEB/ -4.688e-03 -1.398e-02 1.023e-03 5.870e-04 / ! Reaction index: Chemkin #96; RMG #1360 ! PDep reaction: PDepNetwork #32 ! Flux pairs: C2H6N(12), C2H6N(14); H(5), H(5); H(5)+C2H6N(12)(+M)=H(5)+C2H6N(14)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.687e+00 -3.712e-04 -1.755e-04 -5.937e-05 / CHEB/ 9.556e+00 -6.205e-04 -2.934e-04 -9.922e-05 / CHEB/ 1.540e+00 -3.089e-04 -1.460e-04 -4.935e-05 / CHEB/ -1.200e-01 5.866e-05 2.776e-05 9.396e-06 / CHEB/ -3.387e-01 3.367e-04 1.591e-04 5.369e-05 / CHEB/ -2.752e-01 4.389e-04 2.071e-04 6.973e-05 / ! Reaction index: Chemkin #97; RMG #1371 ! PDep reaction: PDepNetwork #25 ! Flux pairs: CH3(15), C2H6N(14); CH2NH(25), C2H6N(14); CH3(15)+CH2NH(25)(+M)=C2H6N(14)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 7.633e+00 2.380e-01 -4.087e-02 3.274e-03 / CHEB/ 1.302e+00 2.790e-01 -2.305e-02 -3.408e-03 / CHEB/ -4.531e-01 1.105e-01 3.375e-03 -2.325e-03 / CHEB/ -1.730e-01 2.206e-02 7.426e-03 6.198e-05 / CHEB/ -6.308e-02 -6.269e-03 4.381e-03 7.532e-04 / CHEB/ -2.441e-02 -6.384e-03 1.418e-03 4.405e-04 / ! Reaction index: Chemkin #98; RMG #1372 ! PDep reaction: PDepNetwork #25 ! Flux pairs: CH3(15), C2H6N(13); CH2NH(25), C2H6N(13); CH3(15)+CH2NH(25)(+M)=C2H6N(13)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 2.119e+00 -1.731e-01 -9.094e-02 -7.558e-03 / CHEB/ 6.416e+00 3.005e-01 2.668e-02 1.753e-03 / CHEB/ -1.106e-01 1.536e-01 1.360e-03 2.557e-03 / CHEB/ -2.067e-01 6.232e-02 -5.912e-03 8.543e-04 / CHEB/ -1.468e-01 2.605e-02 -3.429e-03 -7.065e-04 / CHEB/ -7.159e-02 1.052e-02 6.865e-04 -9.869e-04 / ! Reaction index: Chemkin #99; RMG #1373 ! PDep reaction: PDepNetwork #25 ! Flux pairs: CH3(15), C2H6N(12); CH2NH(25), C2H6N(12); CH3(15)+CH2NH(25)(+M)=C2H6N(12)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 4.122e+00 8.826e-02 -1.348e-01 3.915e-03 / CHEB/ 3.361e+00 6.625e-01 5.229e-02 -1.508e-02 / CHEB/ -2.412e-01 7.118e-02 3.279e-02 3.708e-03 / CHEB/ -1.305e-01 -4.240e-02 1.411e-03 2.897e-03 / CHEB/ -5.923e-02 -2.239e-02 -3.261e-03 1.297e-04 / CHEB/ -3.578e-02 -1.604e-04 -3.066e-04 -2.578e-04 / ! Reaction index: Chemkin #100; RMG #34 ! Library reaction: Ethylamine ! Flux pairs: NCC(1), C2H6N(12); CH3(15), CH4(16); CH3(15)+NCC(1)=CH4(16)+C2H6N(12) 6.000000e+12 0.000 12.620 ! Reaction index: Chemkin #101; RMG #35 ! Library reaction: Ethylamine ! Flux pairs: NCC(1), C2H6N(13); CH3(15), CH4(16); CH3(15)+NCC(1)=CH4(16)+C2H6N(13) 1.230000e+13 0.000 7.911 ! Reaction index: Chemkin #102; RMG #36 ! Library reaction: Ethylamine ! Flux pairs: NCC(1), C2H6N(14); CH3(15), CH4(16); CH3(15)+NCC(1)=CH4(16)+C2H6N(14) 2.230000e+12 0.000 9.441 ! Reaction index: Chemkin #103; RMG #131 ! Library reaction: FFCM1(-) ! Flux pairs: CH3(15), CH4(16); HO2(10), O2(2); HO2(10)+CH3(15)=O2(2)+CH4(16) 1.269000e+05 2.228 -3.022 ! Reaction index: Chemkin #104; RMG #163 ! Library reaction: FFCM1(-) ! Flux pairs: CH4(16), CH3(15); H(5), H2(7); H(5)+CH4(16)=H2(7)+CH3(15) 4.781000e+05 2.500 9.588 ! Reaction index: Chemkin #105; RMG #164 ! Library reaction: FFCM1(-) ! Flux pairs: CH4(16), CH3(15); O(6), OH(3); O(6)+CH4(16)=OH(3)+CH3(15) 6.786000e+08 1.560 8.485 ! Reaction index: Chemkin #106; RMG #165 ! Library reaction: FFCM1(-) ! Flux pairs: CH4(16), CH3(15); OH(3), H2O(8); OH(3)+CH4(16)=H2O(8)+CH3(15) 9.839000e+05 2.182 2.446 ! Reaction index: Chemkin #107; RMG #166 ! Library reaction: FFCM1(-) ! Flux pairs: CH4(16), CH3(15); HO2(10), H2O2(11); HO2(10)+CH4(16)=H2O2(11)+CH3(15) 4.778000e+04 2.500 21.000 ! Reaction index: Chemkin #108; RMG #549 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: CH2NH2(26), CH2NH(25); CH3(15), CH4(16); CH3(15)+CH2NH2(26)=CH2NH(25)+CH4(16) 1.600000e+06 1.870 -0.626 ! Reaction index: Chemkin #109; RMG #1165 ! Template reaction: Disproportionation ! Flux pairs: C2H6N(13), C2H5N(23); CH3(15), CH4(16); ! Estimated using template [Cs_rad;Cmethyl_Csrad] for rate rule [C_methyl;Cmethyl_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation CH3(15)+C2H6N(13)=CH4(16)+C2H5N(23) 1.811391e+13 -0.392 -0.011 ! Reaction index: Chemkin #110; RMG #1307 ! Template reaction: Disproportionation ! Flux pairs: C2H6N(12), C2H5N(23); CH3(15), CH4(16); ! Estimated using template [Cs_rad;Cpri_Rrad] for rate rule [C_methyl;Cpri_Rrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation CH3(15)+C2H6N(12)=CH4(16)+C2H5N(23) 5.551313e+11 0.096 0.062 ! Reaction index: Chemkin #111; RMG #1483 ! PDep reaction: PDepNetwork #3 ! Flux pairs: H(5), CH4(16); CH3(15), CH4(16); H(5)+CH3(15)(+M)=CH4(16)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.347e+01 4.470e-01 -4.626e-02 5.382e-05 / CHEB/ -9.130e-01 3.124e-01 8.233e-03 -2.565e-03 / CHEB/ -4.293e-01 6.702e-02 1.198e-02 4.575e-04 / CHEB/ -1.972e-01 1.461e-02 3.192e-03 4.265e-04 / CHEB/ -8.857e-02 3.214e-03 6.260e-04 9.413e-05 / CHEB/ -3.930e-02 7.179e-04 1.213e-04 7.432e-06 / ! Reaction index: Chemkin #112; RMG #125 ! Library reaction: FFCM1(-) ! Flux pairs: CH3(15), CH2O(36); O(6), H(5); O(6)+CH3(15)=H(5)+CH2O(36) 5.722000e+13 0.000 0.000 ! Reaction index: Chemkin #113; RMG #130 ! Library reaction: FFCM1(-) ! Flux pairs: CH3(15), CH2O(36); OH(3), H2(7); OH(3)+CH3(15)=H2(7)+CH2O(36) 2.735000e+09 0.734 -2.177 ! Reaction index: Chemkin #114; RMG #134 ! Library reaction: FFCM1(-) ! Flux pairs: CH3(15), CH2O(36); O2(2), OH(3); O2(2)+CH3(15)=OH(3)+CH2O(36) 9.977000e+01 2.860 9.768 ! Reaction index: Chemkin #115; RMG #271 ! Library reaction: FFCM1(-) ! Flux pairs: C2H4(24), CH2O(36); OH(3), CH3(15); OH(3)+C2H4(24)=CH2O(36)+CH3(15) 1.780000e+05 1.680 2.060 ! Reaction index: Chemkin #116; RMG #1212 ! Template reaction: H_Abstraction ! Flux pairs: H(5), H2(7); C2H5N(23), C2H4N(21); ! Estimated using an average for rate rule [N3s/H2/OneDe;H_rad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction H(5)+C2H5N(23)=H2(7)+C2H4N(21) 9.600000e+08 1.500 7.410 ! Reaction index: Chemkin #117; RMG #1215 ! Template reaction: H_Abstraction ! Flux pairs: O(6), OH(3); C2H5N(23), C2H4N(21); ! Estimated using an average for rate rule [N3s/H2/OneDe;O_atom_triplet] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction O(6)+C2H5N(23)=OH(3)+C2H4N(21) 6.600000e+08 1.500 9.583 ! Reaction index: Chemkin #118; RMG #1221 ! Template reaction: H_Abstraction ! Flux pairs: HO2(10), H2O2(11); C2H5N(23), C2H4N(21); ! Estimated using an average for rate rule [N3s/H2/OneDe;O_rad/NonDeO] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction HO2(10)+C2H5N(23)=H2O2(11)+C2H4N(21) 5.800000e+04 2.690 12.630 ! Reaction index: Chemkin #119; RMG #1230 ! Template reaction: H_Abstraction ! Flux pairs: HO2(10), O2(2); C2H4N(21), C2H5N(23); ! Estimated using template [X_H;N3s_rad] for rate rule [Orad_O_H;N3s_rad_pri] ! Euclidian distance = 2.23606797749979 ! family: H_Abstraction HO2(10)+C2H4N(21)=O2(2)+C2H5N(23) 4.479746e+07 1.503 6.347 ! Reaction index: Chemkin #120; RMG #1234 ! Template reaction: H_Abstraction ! Flux pairs: OH(3), H2O(8); C2H5N(23), C2H4N(21); ! Estimated using average of templates [N3s_pri_H;O_pri_rad] + [N3s/H2/OneDe;O_rad] for rate rule [N3s/H2/OneDe;O_pri_rad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction OH(3)+C2H5N(23)=H2O(8)+C2H4N(21) 5.276362e+05 2.345 15.626 ! Reaction index: Chemkin #121; RMG #1239 ! Template reaction: H_Abstraction ! Flux pairs: CH3(15), CH4(16); C2H5N(23), C2H4N(21); ! Estimated using an average for rate rule [N3s/H2/OneDe;C_methyl] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction CH3(15)+C2H5N(23)=CH4(16)+C2H4N(21) 3.200000e+06 1.870 7.180 ! Reaction index: Chemkin #122; RMG #1262 ! Template reaction: Disproportionation ! Estimated using template [N3s_rad;N3s/H2_s_Rrad] for rate rule [N3s_rad/H/OneDe;N3s/H2_s_Cssrad] ! Euclidian distance = 2.8284271247461903 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation CH2NH2(26)+C2H4N(21)=CH2NH(25)+C2H5N(23) 1.819890e+06 1.940 -1.150 ! Reaction index: Chemkin #123; RMG #1272 ! Template reaction: H_Abstraction ! Flux pairs: C2H6N(13), NCC(1); C2H5N(23), C2H4N(21); ! Estimated using template [N3s/H2/OneDe;Cs_rad] for rate rule [N3s/H2/OneDe;C_rad/H/NonDeCN] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction C2H5N(23)+C2H6N(13)=C2H4N(21)+NCC(1) 3.200000e+06 1.870 7.180 ! Reaction index: Chemkin #124; RMG #1279 ! Template reaction: Disproportionation ! Estimated using template [N3s_rad_pri;XH_s_Rrad] for rate rule [N3s_rad/H/OneDe;Cpri_Rrad] ! Euclidian distance = 1.4142135623730951 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H4N(21)+C2H6N(12)=C2H5N(23)+C2H5N(23) 3.266803e+05 2.315 0.265 ! Reaction index: Chemkin #125; RMG #1280 ! Template reaction: Disproportionation ! Estimated using template [N3s_rad_pri;XH_s_Rrad] for rate rule [N3s_rad/H/OneDe;Cmethyl_Csrad] ! Euclidian distance = 2.23606797749979 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C2H4N(21)+C2H6N(13)=C2H5N(23)+C2H5N(23) 4.900204e+05 2.315 0.265 ! Reaction index: Chemkin #126; RMG #1784 ! PDep reaction: PDepNetwork #51 ! Flux pairs: H(5), C2H5N(23); C2H4N(21), C2H5N(23); H(5)+C2H4N(21)(+M)=C2H5N(23)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.342e+01 2.471e-01 -2.621e-02 2.586e-03 / CHEB/ -7.630e-01 3.907e-01 -2.576e-02 -5.440e-04 / CHEB/ -5.877e-01 2.159e-01 3.726e-03 -3.870e-03 / CHEB/ -3.418e-01 7.652e-02 1.339e-02 -2.446e-03 / CHEB/ -1.656e-01 3.134e-03 8.984e-03 1.560e-04 / CHEB/ -6.847e-02 -2.065e-02 2.711e-03 1.304e-03 / ! Reaction index: Chemkin #127; RMG #1340 ! Template reaction: H_Abstraction ! Flux pairs: C2H6N(12), NCC(1); C2H5N(23), C2H4N(21); ! Estimated using template [N3s/H2/OneDe;Cs_rad] for rate rule [N3s/H2/OneDe;C_rad/H2/Cs] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction C2H5N(23)+C2H6N(12)=C2H4N(21)+NCC(1) 3.200000e+06 1.870 7.180 ! Reaction index: Chemkin #128; RMG #1458 ! Template reaction: H_Abstraction ! Flux pairs: C2H6N(14), NCC(1); C2H5N(23), C2H4N(21); ! Estimated using template [N3s_pri_H;N3s_rad] for rate rule [N3s/H2/OneDe;N3s_rad_pri] ! Euclidian distance = 1.4142135623730951 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction C2H5N(23)+C2H6N(14)=C2H4N(21)+NCC(1) 6.827884e+04 2.385 3.920 ! Reaction index: Chemkin #129; RMG #56 ! Library reaction: Ethylamine ! Flux pairs: C2H4N(21), CH3CHN(22); C2H4N(21)=CH3CHN(22) 9.200000e+05 2.160 37.400 ! Reaction index: Chemkin #130; RMG #53 ! Library reaction: Ethylamine ! Flux pairs: CH3CHN(22), HCN(28); CH3CHN(22), CH3(15); CH3CHN(22)=HCN(28)+CH3(15) 7.520000e+10 1.100 26.200 ! Reaction index: Chemkin #131; RMG #52 ! Library reaction: Ethylamine ! Flux pairs: C2H4N(21), H(5); C2H4N(21), CH2CNH(27); C2H4N(21)=H(5)+CH2CNH(27) 2.180000e+07 2.260 50.300 ! Reaction index: Chemkin #132; RMG #1573 ! Template reaction: Disproportionation ! Flux pairs: C2H4N(21), CH2CNH(27); H(5), H2(7); ! Estimated using template [Y_rad;Cdpri_Csrad] for rate rule [H_rad;Cdpri_Csrad] ! Euclidian distance = 1.0 ! family: Disproportionation H(5)+C2H4N(21)=H2(7)+CH2CNH(27) 3.010000e+12 0.000 6.000 ! Reaction index: Chemkin #133; RMG #1580 ! Template reaction: Disproportionation ! Flux pairs: C2H4N(21), CH2CNH(27); O(6), OH(3); ! Estimated using average of templates [Y_rad_birad_trirad_quadrad;Cdpri_Csrad] + [O_atom_triplet;XH_s_Rrad] for rate rule [O_atom_triplet;Cdpri_Csrad] ! Euclidian distance = 2.0 ! family: Disproportionation O(6)+C2H4N(21)=OH(3)+CH2CNH(27) 1.684485e+09 0.625 -0.237 ! Reaction index: Chemkin #134; RMG #1590 ! Template reaction: Disproportionation ! Flux pairs: C2H4N(21), CH2CNH(27); HO2(10), H2O2(11); ! Estimated using average of templates [O_rad;Cdpri_Csrad] + [O_rad/NonDeO;XH_s_Rrad] for rate rule [O_rad/NonDeO;Cdpri_Csrad] ! Euclidian distance = 2.0 ! family: Disproportionation HO2(10)+C2H4N(21)=H2O2(11)+CH2CNH(27) 5.007832e+09 1.009 2.400 ! Reaction index: Chemkin #135; RMG #1613 ! Template reaction: Disproportionation ! Flux pairs: C2H4N(21), CH2CNH(27); O2(2), HO2(10); ! From training reaction 45 used for O2b;Cdpri_Csrad ! Exact match found for rate rule [O2b;Cdpri_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation O2(2)+C2H4N(21)=HO2(10)+CH2CNH(27) 1.204400e+12 0.000 13.550 ! Reaction index: Chemkin #136; RMG #1616 ! Template reaction: Disproportionation ! Flux pairs: C2H4N(21), CH2CNH(27); OH(3), H2O(8); ! From training reaction 52 used for O_pri_rad;Cdpri_Csrad ! Exact match found for rate rule [O_pri_rad;Cdpri_Csrad] ! Euclidian distance = 0 ! family: Disproportionation OH(3)+C2H4N(21)=H2O(8)+CH2CNH(27) 6.030000e+12 0.000 6.000 ! Reaction index: Chemkin #137; RMG #1623 ! Template reaction: Disproportionation ! Flux pairs: C2H4N(21), CH2CNH(27); CH3(15), CH4(16); ! Estimated using template [Cs_rad;Cdpri_Csrad] for rate rule [C_methyl;Cdpri_Csrad] ! Euclidian distance = 1.0 ! family: Disproportionation CH3(15)+C2H4N(21)=CH4(16)+CH2CNH(27) 3.354068e+12 0.000 6.000 ! Reaction index: Chemkin #138; RMG #1672 ! Template reaction: Disproportionation ! Flux pairs: C2H4N(21), CH2CNH(27); C2H6N(13), NCC(1); ! Estimated using template [C_sec_rad;Cdpri_Csrad] for rate rule [C_rad/H/NonDeN;Cdpri_Csrad] ! Euclidian distance = 1.0 ! family: Disproportionation C2H4N(21)+C2H6N(13)=CH2CNH(27)+NCC(1) 4.580000e+12 0.000 6.000 ! Reaction index: Chemkin #139; RMG #1709 ! Template reaction: Disproportionation ! Flux pairs: C2H4N(21), CH2CNH(27); C2H6N(12), NCC(1); ! From training reaction 47 used for C_rad/H2/Cs;Cdpri_Csrad ! Exact match found for rate rule [C_rad/H2/Cs;Cdpri_Csrad] ! Euclidian distance = 0 ! family: Disproportionation C2H4N(21)+C2H6N(12)=CH2CNH(27)+NCC(1) 9.640000e+11 0.000 6.000 ! Reaction index: Chemkin #140; RMG #1726 ! Template reaction: Disproportionation ! Flux pairs: C2H4N(21), CH2CNH(27); C2H6N(14), NCC(1); ! Estimated using template [N3s_rad/H/NonDe;XH_s_Rrad] for rate rule [N3s_rad/H/NonDeC;Cdpri_Csrad] ! Euclidian distance = 2.23606797749979 ! family: Disproportionation C2H4N(21)+C2H6N(14)=CH2CNH(27)+NCC(1) 1.633401e+05 2.315 0.265 ! Reaction index: Chemkin #141; RMG #1768 ! Template reaction: Disproportionation ! Flux pairs: C2H4N(21), CH2CNH(27); C2H4N(21), C2H5N(23); ! Estimated using template [N3s_rad_pri;XH_s_Rrad] for rate rule [N3s_rad/H/OneDe;Cdpri_Csrad] ! Euclidian distance = 2.23606797749979 ! family: Disproportionation C2H4N(21)+C2H4N(21)=CH2CNH(27)+C2H5N(23) 1.633401e+05 2.315 0.265 ! Reaction index: Chemkin #142; RMG #1575 ! Template reaction: H_Abstraction ! Flux pairs: H(5), H2(7); C2H4N(21), C2H3N(165); ! Estimated using an average for rate rule [N3d/H/NonDe;H_rad] ! Euclidian distance = 0 ! family: H_Abstraction H(5)+C2H4N(21)=H2(7)+C2H3N(165) 3.728679e+09 1.240 3.187 ! Reaction index: Chemkin #143; RMG #1582 ! Template reaction: H_Abstraction ! Flux pairs: O(6), OH(3); C2H4N(21), C2H3N(165); ! Estimated using an average for rate rule [N3d/H/NonDe;O_atom_triplet] ! Euclidian distance = 0 ! family: H_Abstraction O(6)+C2H4N(21)=OH(3)+C2H3N(165) 2.933538e+09 1.240 8.762 ! Reaction index: Chemkin #144; RMG #1595 ! Template reaction: H_Abstraction ! Flux pairs: H2O2(11), HO2(10); C2H3N(165), C2H4N(21); ! Estimated using template [O_sec;N3_rad] for rate rule [H2O2;N3d_rad/OneDe] ! Euclidian distance = 2.8284271247461903 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction H2O2(11)+C2H3N(165)=HO2(10)+C2H4N(21) 1.840000e+06 1.940 2.487 ! Reaction index: Chemkin #145; RMG #1615 ! Template reaction: H_Abstraction ! Flux pairs: HO2(10), O2(2); C2H3N(165), C2H4N(21); ! Estimated using template [X_H;N3d_rad/OneDe] for rate rule [Orad_O_H;N3d_rad/OneDe] ! Euclidian distance = 2.0 ! family: H_Abstraction HO2(10)+C2H3N(165)=O2(2)+C2H4N(21) 5.930153e+06 1.827 6.480 ! Reaction index: Chemkin #146; RMG #1621 ! Template reaction: H_Abstraction ! Flux pairs: OH(3), H2O(8); C2H4N(21), C2H3N(165); ! Estimated using an average for rate rule [N3d/H/NonDe;O_pri_rad] ! Euclidian distance = 0 ! family: H_Abstraction OH(3)+C2H4N(21)=H2O(8)+C2H3N(165) 2.400000e+06 2.000 -1.190 ! Reaction index: Chemkin #147; RMG #1628 ! Template reaction: H_Abstraction ! Flux pairs: CH3(15), CH4(16); C2H4N(21), C2H3N(165); ! Estimated using an average for rate rule [N3d/H/NonDe;C_methyl] ! Euclidian distance = 0 ! family: H_Abstraction CH3(15)+C2H4N(21)=CH4(16)+C2H3N(165) 1.024667e+06 1.870 5.784 ! Reaction index: Chemkin #148; RMG #1662 ! Template reaction: Disproportionation ! Estimated using template [N3_rad;N3s/H2_s_Rrad] for rate rule [N3d_rad/C;N3s/H2_s_Cssrad] ! Euclidian distance = 2.8284271247461903 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation CH2NH2(26)+C2H3N(165)=CH2NH(25)+C2H4N(21) 1.819890e+06 1.940 -1.150 ! Reaction index: Chemkin #149; RMG #1683 ! Template reaction: H_Abstraction ! Flux pairs: C2H6N(13), NCC(1); C2H4N(21), C2H3N(165); ! Estimated using template [N3d/H/NonDe;Cs_rad] for rate rule [N3d/H/NonDe;C_rad/H/NonDeCN] ! Euclidian distance = 2.0 ! family: H_Abstraction C2H4N(21)+C2H6N(13)=C2H3N(165)+NCC(1) 1.024667e+06 1.870 5.784 ! Reaction index: Chemkin #150; RMG #1697 ! Template reaction: Disproportionation ! Estimated using template [N3d_rad/C;XH_s_Rrad] for rate rule [N3d_rad/C;Cpri_Rrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H3N(165)+C2H6N(12)=C2H4N(21)+C2H5N(23) 2.800000e+04 2.690 -1.610 ! Reaction index: Chemkin #151; RMG #1700 ! Template reaction: Disproportionation ! Estimated using template [N3d_rad/C;XH_s_Rrad] for rate rule [N3d_rad/C;Cmethyl_Csrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C2H3N(165)+C2H6N(13)=C2H4N(21)+C2H5N(23) 4.200000e+04 2.690 -1.610 ! Reaction index: Chemkin #152; RMG #1720 ! Template reaction: H_Abstraction ! Flux pairs: C2H6N(12), NCC(1); C2H4N(21), C2H3N(165); ! Estimated using template [N3d/H/NonDe;Cs_rad] for rate rule [N3d/H/NonDe;C_rad/H2/Cs] ! Euclidian distance = 2.0 ! family: H_Abstraction C2H4N(21)+C2H6N(12)=C2H3N(165)+NCC(1) 1.024667e+06 1.870 5.784 ! Reaction index: Chemkin #153; RMG #1737 ! Template reaction: H_Abstraction ! Flux pairs: C2H6N(14), NCC(1); C2H4N(21), C2H3N(165); ! Estimated using template [N3d/H/NonDe;N3s_rad] for rate rule [N3d/H/NonDe;N3s_rad_pri] ! Euclidian distance = 1.0 ! family: H_Abstraction C2H4N(21)+C2H6N(14)=C2H3N(165)+NCC(1) 1.150666e+06 1.940 0.713 ! Reaction index: Chemkin #154; RMG #1773 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(23), C2H4N(21); C2H3N(165), C2H4N(21); ! Estimated using template [N3s_pri_H;N3d_rad] for rate rule [N3s/H2/OneDe;N3d_rad/OneDe] ! Euclidian distance = 1.4142135623730951 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction C2H3N(165)+C2H5N(23)=C2H4N(21)+C2H4N(21) 3.220000e+01 3.160 30.488 ! Reaction index: Chemkin #155; RMG #2404 ! PDep reaction: PDepNetwork #65 ! Flux pairs: H(5), C2H4N(21); C2H3N(165), C2H4N(21); H(5)+C2H3N(165)(+M)=C2H4N(21)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.365e+01 2.732e-01 -5.492e-02 8.141e-03 / CHEB/ -5.422e-01 2.511e-01 -9.329e-03 -4.683e-03 / CHEB/ -3.238e-01 6.805e-02 2.194e-02 -3.687e-03 / CHEB/ -2.004e-01 3.653e-02 8.570e-03 2.337e-04 / CHEB/ -1.249e-01 4.076e-02 -3.286e-03 5.132e-04 / CHEB/ -5.950e-02 2.411e-02 -3.586e-03 9.171e-05 / ! Reaction index: Chemkin #156; RMG #1798 ! Template reaction: H_Abstraction ! Flux pairs: H(5), H2(7); CH3CHN(22), C2H3N(165); ! From training reaction 126 used for C/H3/OneDe;H_rad ! Exact match found for rate rule [C/H3/OneDe;H_rad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction H(5)+CH3CHN(22)=H2(7)+C2H3N(165) 3.980000e+04 2.760 4.400 ! Reaction index: Chemkin #157; RMG #1802 ! Template reaction: H_Abstraction ! Flux pairs: O(6), OH(3); CH3CHN(22), C2H3N(165); ! Estimated using an average for rate rule [C/H3/OneDe;O_atom_triplet] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction O(6)+CH3CHN(22)=OH(3)+C2H3N(165) 7.880000e-03 4.293 11.251 ! Reaction index: Chemkin #158; RMG #1809 ! Template reaction: H_Abstraction ! Flux pairs: H2O2(11), HO2(10); C2H3N(165), CH3CHN(22); ! Estimated using an average for rate rule [H2O2;C_pri_rad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction H2O2(11)+C2H3N(165)=HO2(10)+CH3CHN(22) 1.764424e-01 3.774 5.502 ! Reaction index: Chemkin #159; RMG #1819 ! Template reaction: H_Abstraction ! Flux pairs: HO2(10), O2(2); C2H3N(165), CH3CHN(22); ! Estimated using average of templates [X_H;C_pri_rad] + [Orad_O_H;Y_rad] for rate rule [Orad_O_H;C_pri_rad] ! Euclidian distance = 2.0 ! family: H_Abstraction HO2(10)+C2H3N(165)=O2(2)+CH3CHN(22) 1.483035e+05 1.853 7.340 ! Reaction index: Chemkin #160; RMG #1823 ! Template reaction: H_Abstraction ! Flux pairs: OH(3), H2O(8); CH3CHN(22), C2H3N(165); ! Estimated using an average for rate rule [C/H3/OneDe;O_pri_rad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction OH(3)+CH3CHN(22)=H2O(8)+C2H3N(165) 9.573596e+05 2.190 0.903 ! Reaction index: Chemkin #161; RMG #1827 ! Template reaction: H_Abstraction ! Flux pairs: CH3(15), CH4(16); CH3CHN(22), C2H3N(165); ! Estimated using an average for rate rule [C/H3/OneDe;C_methyl] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction CH3(15)+CH3CHN(22)=CH4(16)+C2H3N(165) 1.925841e+00 3.800 5.267 ! Reaction index: Chemkin #162; RMG #1842 ! Template reaction: Disproportionation ! Estimated using template [Y_rad;N3s/H2_s_Cssrad] for rate rule [C_rad/H2/Cd;N3s/H2_s_Cssrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation CH2NH2(26)+C2H3N(165)=CH2NH(25)+CH3CHN(22) 3.200000e+06 1.870 -0.630 ! Reaction index: Chemkin #163; RMG #1855 ! Template reaction: H_Abstraction ! Flux pairs: C2H6N(13), NCC(1); CH3CHN(22), C2H3N(165); ! Estimated using template [C/H3/OneDe;C_sec_rad] for rate rule [C/H3/OneDe;C_rad/H/NonDeCN] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction CH3CHN(22)+C2H6N(13)=C2H3N(165)+NCC(1) 1.381494e-03 4.432 10.997 ! Reaction index: Chemkin #164; RMG #1859 ! Template reaction: Disproportionation ! Estimated using an average for rate rule [C_rad/H2/Cd;Cpri_Rrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H3N(165)+C2H6N(12)=CH3CHN(22)+C2H5N(23) 2.900000e+12 0.000 -0.130 ! Reaction index: Chemkin #165; RMG #1861 ! Template reaction: Disproportionation ! From training reaction 7 used for C_rad/H2/Cd;Cmethyl_Csrad ! Exact match found for rate rule [C_rad/H2/Cd;Cmethyl_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C2H3N(165)+C2H6N(13)=CH3CHN(22)+C2H5N(23) 6.870000e+13 -0.350 -0.130 ! Reaction index: Chemkin #166; RMG #1873 ! Template reaction: H_Abstraction ! Flux pairs: C2H6N(12), NCC(1); CH3CHN(22), C2H3N(165); ! Estimated using an average for rate rule [C/H3/OneDe;C_rad/H2/Cs] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction CH3CHN(22)+C2H6N(12)=C2H3N(165)+NCC(1) 5.153650e-04 4.471 5.188 ! Reaction index: Chemkin #167; RMG #1881 ! Template reaction: H_Abstraction ! Flux pairs: C2H6N(14), NCC(1); CH3CHN(22), C2H3N(165); ! Estimated using template [C/H3/OneDe;N3s_rad] for rate rule [C/H3/OneDe;N3s_rad_pri] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction CH3CHN(22)+C2H6N(14)=C2H3N(165)+NCC(1) 1.908147e+13 0.000 8.031 ! Reaction index: Chemkin #168; RMG #1905 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(23), C2H4N(21); C2H3N(165), CH3CHN(22); ! Estimated using template [N3s/H2/OneDe;Cs_rad] for rate rule [N3s/H2/OneDe;C_pri_rad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction C2H3N(165)+C2H5N(23)=C2H4N(21)+CH3CHN(22) 3.200000e+06 1.870 7.180 ! Reaction index: Chemkin #169; RMG #2413 ! PDep reaction: PDepNetwork #66 ! Flux pairs: H(5), CH3CHN(22); C2H3N(165), CH3CHN(22); H(5)+C2H3N(165)(+M)=CH3CHN(22)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.361e+01 2.819e-01 -3.807e-02 3.609e-03 / CHEB/ -7.296e-01 3.952e-01 -2.565e-02 -3.544e-03 / CHEB/ -4.954e-01 1.890e-01 9.625e-03 -5.012e-03 / CHEB/ -2.802e-01 5.689e-02 1.572e-02 -1.585e-03 / CHEB/ -1.382e-01 2.775e-03 8.700e-03 7.511e-04 / CHEB/ -6.023e-02 -9.129e-03 2.210e-03 9.871e-04 / ! Reaction index: Chemkin #170; RMG #2127 ! Template reaction: Disproportionation ! Estimated using template [N3d_rad/C;XH_s_Rrad] for rate rule [N3d_rad/C;Cdpri_Nrad] ! Euclidian distance = 2.0 ! family: Disproportionation C2H3N(165)+C2H4N(21)=CH2CNH(27)+C2H4N(21) 1.400000e+04 2.690 -1.610 ! Reaction index: Chemkin #171; RMG #2140 ! Template reaction: Disproportionation ! Estimated using template [C_rad/H2/Cd;Cdpri_Rrad] for rate rule [C_rad/H2/Cd;Cdpri_Nrad] ! Euclidian distance = 1.0 ! family: Disproportionation C2H3N(165)+C2H4N(21)=CH2CNH(27)+CH3CHN(22) 8.430000e+10 0.000 6.000 ! Reaction index: Chemkin #172; RMG #2385 ! PDep reaction: PDepNetwork #64 ! Flux pairs: C2H3N(165), CH2CNH(27); C2H3N(165)(+M)=CH2CNH(27)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 8.660e+00 8.930e-01 -3.338e-02 -5.411e-03 / CHEB/ 9.555e-01 1.514e-01 2.858e-02 3.230e-03 / CHEB/ -3.705e-01 3.266e-02 5.573e-03 1.542e-03 / CHEB/ -1.748e-01 1.778e-02 1.929e-04 1.070e-04 / CHEB/ -6.738e-02 1.025e-02 -1.472e-03 -3.237e-04 / CHEB/ -1.554e-02 4.785e-03 -1.086e-03 -3.213e-04 / ! Reaction index: Chemkin #173; RMG #2328 ! Template reaction: H_Abstraction ! Flux pairs: CH3CHN(22), C2H3N(165); C2H3N(165), C2H4N(21); ! Estimated using average of templates [Cs_H;N3d_rad/OneDe] + [C/H3/OneDe;N3_rad] for rate rule [C/H3/OneDe;N3d_rad/OneDe] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction C2H3N(165)+CH3CHN(22)=C2H3N(165)+C2H4N(21) 2.473334e+13 0.000 8.052 ! Reaction index: Chemkin #174; RMG #516 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: HCNH(69), H(5); HCNH(69), HCN(28); HCNH(69)=H(5)+HCN(28) 1.000e+00 0.000 0.000 PLOG/ 0.100000 7.700e+25 -5.200 21.987 / PLOG/ 1.000000 6.100e+28 -5.690 24.272 / PLOG/ 10.000000 6.200e+26 -4.770 24.819 / ! Reaction index: Chemkin #175; RMG #518 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: HCNH(69), HCN(28); H(5), H2(7); H(5)+HCNH(69)=H2(7)+HCN(28) 2.400000e+08 1.500 -0.894 ! Reaction index: Chemkin #176; RMG #520 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: HCNH(69), HCN(28); O(6), OH(3); O(6)+HCNH(69)=OH(3)+HCN(28) 1.700000e+08 1.500 -0.894 ! Reaction index: Chemkin #177; RMG #521 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: HCNH(69), HCN(28); OH(3), H2O(8); OH(3)+HCNH(69)=H2O(8)+HCN(28) 1.200000e+06 2.000 -1.192 ! Reaction index: Chemkin #178; RMG #522 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: HCNH(69), HCN(28); CH3(15), CH4(16); HCNH(69)+CH3(15)=HCN(28)+CH4(16) 8.200000e+05 1.870 -1.112 ! Reaction index: Chemkin #179; RMG #530 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: CH2NH(25), HCNH(69); H(5), H2(7); H(5)+CH2NH(25)=H2(7)+HCNH(69) 3.000000e+08 1.500 6.126 ! Reaction index: Chemkin #180; RMG #531 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: CH2NH(25), HCNH(69); O(6), OH(3); O(6)+CH2NH(25)=OH(3)+HCNH(69) 2.200000e+08 1.500 5.402 ! Reaction index: Chemkin #181; RMG #532 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: CH2NH(25), HCNH(69); OH(3), H2O(8); OH(3)+CH2NH(25)=H2O(8)+HCNH(69) 2.400000e+06 2.000 0.457 ! Reaction index: Chemkin #182; RMG #533 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: CH2NH(25), HCNH(69); CH3(15), CH4(16); CH3(15)+CH2NH(25)=HCNH(69)+CH4(16) 5.300000e+05 1.870 9.681 ! Reaction index: Chemkin #183; RMG #1105 ! Template reaction: H_Abstraction ! Flux pairs: H2O2(11), HO2(10); HCNH(69), CH2NH(25); ! Estimated using an average for rate rule [H2O2;Y_rad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction H2O2(11)+HCNH(69)=HO2(10)+CH2NH(25) 1.412291e+01 3.268 10.312 ! Reaction index: Chemkin #184; RMG #1113 ! Template reaction: H_Abstraction ! Flux pairs: HO2(10), O2(2); HCNH(69), CH2NH(25); ! Estimated using an average for rate rule [Orad_O_H;Y_rad] ! Euclidian distance = 0 ! family: H_Abstraction HO2(10)+HCNH(69)=O2(2)+CH2NH(25) 4.949747e+10 0.000 -1.637 ! Reaction index: Chemkin #185; RMG #1134 ! Template reaction: Disproportionation ! Flux pairs: HCNH(69), CH2NH(25); CH2NH2(26), CH2NH(25); ! From training reaction 130 used for Y_rad;N3s/H2_s_Cssrad ! Exact match found for rate rule [Y_rad;N3s/H2_s_Cssrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation HCNH(69)+CH2NH2(26)=CH2NH(25)+CH2NH(25) 3.200000e+06 1.870 -0.630 ! Reaction index: Chemkin #186; RMG #2561 ! PDep reaction: PDepNetwork #71 ! Flux pairs: H(5), CH2NH(25); HCNH(69), CH2NH(25); H(5)+HCNH(69)(+M)=CH2NH(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.451e+01 9.634e-01 -1.558e-02 -4.221e-03 / CHEB/ -2.426e+00 1.470e-02 6.270e-03 1.695e-03 / CHEB/ -8.410e-01 1.953e-02 7.406e-03 1.465e-03 / CHEB/ -3.801e-01 1.649e-04 5.127e-04 4.170e-04 / CHEB/ -1.423e-01 -2.471e-03 -5.676e-04 1.215e-04 / CHEB/ -1.007e-01 3.786e-03 1.426e-03 2.759e-04 / ! Reaction index: Chemkin #187; RMG #1184 ! Template reaction: H_Abstraction ! Flux pairs: NCC(1), C2H6N(13); HCNH(69), CH2NH(25); ! Estimated using an average for rate rule [C/H2/NonDeN;Y_rad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction HCNH(69)+NCC(1)=CH2NH(25)+C2H6N(13) 1.391449e+11 0.560 3.237 ! Reaction index: Chemkin #188; RMG #1256 ! Template reaction: Disproportionation ! Flux pairs: HCNH(69), C2H5N(23); C2H6N(12), CH2NH(25); ! Estimated using an average for rate rule [Y_rad;Cpri_Rrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation HCNH(69)+C2H6N(12)=CH2NH(25)+C2H5N(23) 3.692901e+11 0.321 -0.166 ! Reaction index: Chemkin #189; RMG #1257 ! Template reaction: Disproportionation ! From training reaction 5 used for Y_rad;Cmethyl_Csrad ! Exact match found for rate rule [Y_rad;Cmethyl_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation HCNH(69)+C2H6N(13)=CH2NH(25)+C2H5N(23) 6.570000e+14 -0.680 0.000 ! Reaction index: Chemkin #190; RMG #1327 ! Template reaction: H_Abstraction ! Flux pairs: NCC(1), C2H6N(12); HCNH(69), CH2NH(25); ! Estimated using an average for rate rule [C/H3/Cs;Y_rad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction HCNH(69)+NCC(1)=CH2NH(25)+C2H6N(12) 1.146166e+06 2.040 12.505 ! Reaction index: Chemkin #191; RMG #1446 ! Template reaction: H_Abstraction ! Flux pairs: NCC(1), C2H6N(14); HCNH(69), CH2NH(25); ! Estimated using an average for rate rule [N3s/H2/NonDeC;Y_rad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction HCNH(69)+NCC(1)=CH2NH(25)+C2H6N(14) 1.517893e+07 1.828 12.179 ! Reaction index: Chemkin #192; RMG #1671 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(23), C2H4N(21); HCNH(69), CH2NH(25); ! Estimated using an average for rate rule [N3s/H2/OneDe;Y_rad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction HCNH(69)+C2H5N(23)=CH2NH(25)+C2H4N(21) 4.985154e+06 2.000 6.338 ! Reaction index: Chemkin #193; RMG #1917 ! Template reaction: Disproportionation ! Flux pairs: O2(2), HO2(10); HCNH(69), HCN(28); ! Estimated using template [O2b;N3d/H_d_Rrad] for rate rule [O2b;N3d/H_d_Crad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation O2(2)+HCNH(69)=HO2(10)+HCN(28) 2.400000e+12 -0.340 0.150 ! Reaction index: Chemkin #194; RMG #1920 ! Template reaction: Disproportionation ! Flux pairs: HO2(10), H2O2(11); HCNH(69), HCN(28); ! Estimated using template [O_rad/NonDeO;N3d/H_d_Rrad] for rate rule [O_rad/NonDeO;N3d/H_d_Crad] ! Euclidian distance = 1.0 ! family: Disproportionation HO2(10)+HCNH(69)=H2O2(11)+HCN(28) 1.400000e+04 2.690 -1.600 ! Reaction index: Chemkin #195; RMG #1921 ! Template reaction: Disproportionation ! Flux pairs: C2H6N(13), NCC(1); HCNH(69), HCN(28); ! Estimated using template [Y_rad;N3d/H_d_Crad] for rate rule [C_rad/H/NonDeN;N3d/H_d_Crad] ! Euclidian distance = 3.0 ! family: Disproportionation HCNH(69)+C2H6N(13)=HCN(28)+NCC(1) 8.200000e+05 1.870 -1.110 ! Reaction index: Chemkin #196; RMG #1923 ! Template reaction: Disproportionation ! Estimated using template [Y_rad;N3d/H_d_Crad] for rate rule [C_rad/H2/Cs;N3d/H_d_Crad] ! Euclidian distance = 3.0 ! family: Disproportionation HCNH(69)+C2H6N(12)=HCN(28)+NCC(1) 8.200000e+05 1.870 -1.110 ! Reaction index: Chemkin #197; RMG #1925 ! Template reaction: Disproportionation ! Estimated using template [N3s_rad;N3d/H_d_Rrad] for rate rule [N3s_rad/H/NonDeC;N3d/H_d_Crad] ! Euclidian distance = 3.1622776601683795 ! family: Disproportionation HCNH(69)+C2H6N(14)=HCN(28)+NCC(1) 9.200000e+05 1.940 -1.150 ! Reaction index: Chemkin #198; RMG #1943 ! Template reaction: Disproportionation ! Flux pairs: HCNH(69), HCN(28); HCNH(69), CH2NH(25); ! From training reaction 122 used for Y_rad;N3d/H_d_Crad ! Exact match found for rate rule [Y_rad;N3d/H_d_Crad] ! Euclidian distance = 0 ! family: Disproportionation HCNH(69)+HCNH(69)=HCN(28)+CH2NH(25) 8.200000e+05 1.870 -1.110 ! Reaction index: Chemkin #199; RMG #1960 ! Template reaction: Disproportionation ! Estimated using template [N3s_rad;N3d/H_d_Rrad] for rate rule [N3s_rad/H/OneDe;N3d/H_d_Crad] ! Euclidian distance = 2.23606797749979 ! family: Disproportionation HCNH(69)+C2H4N(21)=HCN(28)+C2H5N(23) 9.200000e+05 1.940 -1.150 ! Reaction index: Chemkin #200; RMG #1986 ! Template reaction: Disproportionation ! Estimated using template [N3d_rad;N3d/H_d_Rrad] for rate rule [N3d_rad/C;N3d/H_d_Crad] ! Euclidian distance = 1.4142135623730951 ! family: Disproportionation HCNH(69)+C2H3N(165)=HCN(28)+C2H4N(21) 1.200000e+06 2.000 -1.190 ! Reaction index: Chemkin #201; RMG #1993 ! Template reaction: Disproportionation ! Flux pairs: C2H3N(165), HCN(28); HCNH(69), CH3CHN(22); ! Estimated using template [Y_rad;N3d/H_d_Crad] for rate rule [C_rad/H2/Cd;N3d/H_d_Crad] ! Euclidian distance = 3.0 ! family: Disproportionation HCNH(69)+C2H3N(165)=HCN(28)+CH3CHN(22) 8.200000e+05 1.870 -1.110 ! Reaction index: Chemkin #202; RMG #2057 ! Template reaction: Disproportionation ! Estimated using template [Y_rad;Cdpri_Rrad] for rate rule [Y_rad;Cdpri_Nrad] ! Euclidian distance = 1.0 ! family: Disproportionation HCNH(69)+C2H4N(21)=CH2NH(25)+CH2CNH(27) 3.480312e+12 0.000 6.000 ! Reaction index: Chemkin #203; RMG #2249 ! Template reaction: H_Abstraction ! Flux pairs: C2H4N(21), C2H3N(165); HCNH(69), CH2NH(25); ! Estimated using an average for rate rule [N3d/H/NonDe;Y_rad] ! Euclidian distance = 0 ! family: H_Abstraction HCNH(69)+C2H4N(21)=CH2NH(25)+C2H3N(165) 6.250660e+06 1.844 2.669 ! Reaction index: Chemkin #204; RMG #2250 ! Template reaction: H_Abstraction ! Flux pairs: CH3CHN(22), C2H3N(165); HCNH(69), CH2NH(25); ! Estimated using an average for rate rule [C/H3/OneDe;Y_rad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction HCNH(69)+CH3CHN(22)=CH2NH(25)+C2H3N(165) 1.292064e+04 2.655 7.357 ! Reaction index: Chemkin #205; RMG #46 ! Library reaction: Ethylamine ! Flux pairs: C2H5N(20), C2H4N(21); H(5), H2(7); H(5)+C2H5N(20)=H2(7)+C2H4N(21) 3.980000e+04 2.760 4.400 ! Reaction index: Chemkin #206; RMG #47 ! Library reaction: Ethylamine ! Flux pairs: C2H5N(20), CH3CHN(22); H(5), H2(7); H(5)+C2H5N(20)=H2(7)+CH3CHN(22) 1.190000e+07 1.960 2.400 ! Reaction index: Chemkin #207; RMG #1147 ! Template reaction: Disproportionation ! Flux pairs: C2H6N(13), C2H5N(20); H(5), H2(7); ! From training reaction 127 used for H_rad;N3s/H2_s_Cssrad ! Exact match found for rate rule [H_rad;N3s/H2_s_Cssrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation H(5)+C2H6N(13)=H2(7)+C2H5N(20) 8.000000e+08 1.500 -0.890 ! Reaction index: Chemkin #208; RMG #1150 ! Template reaction: Disproportionation ! Flux pairs: C2H6N(13), C2H5N(20); O(6), OH(3); ! From training reaction 128 used for O_atom_triplet;N3s/H2_s_Cssrad ! Exact match found for rate rule [O_atom_triplet;N3s/H2_s_Cssrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation O(6)+C2H6N(13)=OH(3)+C2H5N(20) 6.600000e+08 1.500 -0.890 ! Reaction index: Chemkin #209; RMG #1153 ! Template reaction: Disproportionation ! Flux pairs: C2H6N(13), C2H5N(20); HO2(10), H2O2(11); ! Estimated using average of templates [O_rad;N3s/H2_s_Cssrad] + [O_rad/NonDeO;N3s/H2_s_Rrad] for rate rule [O_rad/NonDeO;N3s/H2_s_Cssrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation HO2(10)+C2H6N(13)=H2O2(11)+C2H5N(20) 5.276362e+05 2.345 -1.395 ! Reaction index: Chemkin #210; RMG #1158 ! Template reaction: Disproportionation ! Flux pairs: C2H6N(13), C2H5N(20); O2(2), HO2(10); ! Estimated using template [Y_rad_birad_trirad_quadrad;N3s/H2_s_Cssrad] for rate rule [O2b;N3s/H2_s_Cssrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation O2(2)+C2H6N(13)=HO2(10)+C2H5N(20) 9.191300e+07 1.685 -0.760 ! Reaction index: Chemkin #211; RMG #1161 ! Template reaction: Disproportionation ! Flux pairs: C2H6N(13), C2H5N(20); OH(3), H2O(8); ! From training reaction 129 used for O_pri_rad;N3s/H2_s_Cssrad ! Exact match found for rate rule [O_pri_rad;N3s/H2_s_Cssrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation OH(3)+C2H6N(13)=H2O(8)+C2H5N(20) 4.800000e+06 2.000 -1.190 ! Reaction index: Chemkin #212; RMG #1164 ! Template reaction: Disproportionation ! Flux pairs: C2H6N(13), C2H5N(20); CH3(15), CH4(16); ! Estimated using template [Y_rad;N3s/H2_s_Cssrad] for rate rule [C_methyl;N3s/H2_s_Cssrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation CH3(15)+C2H6N(13)=CH4(16)+C2H5N(20) 3.200000e+06 1.870 -0.630 ! Reaction index: Chemkin #213; RMG #1185 ! Template reaction: Disproportionation ! Flux pairs: C2H6N(13), C2H5N(20); C2H6N(13), NCC(1); ! Estimated using template [Y_rad;N3s/H2_s_Cssrad] for rate rule [C_rad/H/NonDeN;N3s/H2_s_Cssrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H6N(13)+C2H6N(13)=C2H5N(20)+NCC(1) 3.200000e+06 1.870 -0.630 ! Reaction index: Chemkin #214; RMG #2708 ! PDep reaction: PDepNetwork #76 ! Flux pairs: H(5), C2H6N(13); C2H5N(20), C2H6N(13); H(5)+C2H5N(20)(+M)=C2H6N(13)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 8.051e+00 1.112e-01 -1.650e-02 7.964e-04 / CHEB/ 2.276e-01 1.869e-01 -2.134e-02 -1.034e-03 / CHEB/ -1.064e+00 1.538e-01 -1.661e-02 -6.991e-04 / CHEB/ -4.227e-01 9.951e-02 -6.616e-03 -1.271e-03 / CHEB/ -1.904e-01 5.207e-02 4.304e-05 -1.145e-03 / CHEB/ -8.439e-02 1.771e-02 3.218e-03 -6.823e-04 / ! Reaction index: Chemkin #215; RMG #1329 ! Template reaction: Disproportionation ! Flux pairs: C2H6N(13), C2H5N(20); C2H6N(12), NCC(1); ! Estimated using template [Y_rad;N3s/H2_s_Cssrad] for rate rule [C_rad/H2/Cs;N3s/H2_s_Cssrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H6N(12)+C2H6N(13)=C2H5N(20)+NCC(1) 3.200000e+06 1.870 -0.630 ! Reaction index: Chemkin #216; RMG #2711 ! PDep reaction: PDepNetwork #76 ! Flux pairs: C2H5N(20), CH2NH(25); H(5), CH3(15); H(5)+C2H5N(20)(+M)=CH3(15)+CH2NH(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 7.628e+00 -3.918e-01 -8.353e-02 -2.832e-03 / CHEB/ -1.517e-01 1.710e-01 4.294e-02 -4.569e-03 / CHEB/ -8.595e-01 2.150e-02 1.337e-02 2.699e-03 / CHEB/ -3.951e-01 -1.383e-02 -5.064e-03 2.797e-03 / CHEB/ -1.986e-01 3.413e-03 -9.722e-03 5.835e-04 / CHEB/ -9.850e-02 1.807e-02 -5.842e-03 -9.321e-04 / ! Reaction index: Chemkin #217; RMG #2710 ! PDep reaction: PDepNetwork #76 ! Flux pairs: H(5), C2H6N(12); C2H5N(20), C2H6N(12); H(5)+C2H5N(20)(+M)=C2H6N(12)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 5.317e+00 3.835e-01 -1.411e-01 -6.930e-03 / CHEB/ 4.498e-01 4.361e-01 1.013e-01 -4.469e-03 / CHEB/ -6.328e-01 -5.691e-03 1.769e-02 7.202e-03 / CHEB/ -2.201e-01 -3.904e-02 -1.279e-02 2.026e-03 / CHEB/ -9.094e-02 2.584e-03 -1.113e-02 -3.857e-04 / CHEB/ -5.840e-02 2.164e-02 -4.435e-03 -7.704e-04 / ! Reaction index: Chemkin #218; RMG #1411 ! Template reaction: Disproportionation ! Flux pairs: C2H6N(14), C2H5N(20); H(5), H2(7); ! Estimated using template [H_rad;C/H2/Nd_Rrad] for rate rule [H_rad;C/H2/Nd_Nrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation H(5)+C2H6N(14)=H2(7)+C2H5N(20) 3.620000e+12 0.000 0.000 ! Reaction index: Chemkin #219; RMG #1414 ! Template reaction: Disproportionation ! Flux pairs: C2H6N(14), C2H5N(20); O(6), OH(3); ! Estimated using template [Y_1centerbirad;C/H2/Nd_Rrad] for rate rule [O_atom_triplet;C/H2/Nd_Nrad] ! Euclidian distance = 1.4142135623730951 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation O(6)+C2H6N(14)=OH(3)+C2H5N(20) 3.620000e+12 0.000 0.000 ! Reaction index: Chemkin #220; RMG #1417 ! Template reaction: Disproportionation ! Flux pairs: C2H6N(14), C2H5N(20); HO2(10), H2O2(11); ! Estimated using template [O_rad;C/H2/Nd_Rrad] for rate rule [O_rad/NonDeO;C/H2/Nd_Nrad] ! Euclidian distance = 2.23606797749979 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation HO2(10)+C2H6N(14)=H2O2(11)+C2H5N(20) 4.820000e+13 0.000 0.000 ! Reaction index: Chemkin #221; RMG #1420 ! Template reaction: Disproportionation ! Flux pairs: C2H6N(14), C2H5N(20); O2(2), HO2(10); ! Estimated using template [O2b;C/H2/Nd_Rrad] for rate rule [O2b;C/H2/Nd_Nrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation O2(2)+C2H6N(14)=HO2(10)+C2H5N(20) 1.833000e+13 0.000 14.850 ! Reaction index: Chemkin #222; RMG #1423 ! Template reaction: Disproportionation ! Flux pairs: C2H6N(14), C2H5N(20); OH(3), H2O(8); ! Estimated using template [O_pri_rad;C/H2/Nd_Rrad] for rate rule [O_pri_rad;C/H2/Nd_Nrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation OH(3)+C2H6N(14)=H2O(8)+C2H5N(20) 4.820000e+13 0.000 0.000 ! Reaction index: Chemkin #223; RMG #1426 ! Template reaction: Disproportionation ! Flux pairs: C2H6N(14), C2H5N(20); CH3(15), CH4(16); ! Estimated using template [Cs_rad;C/H2/Nd_Rrad] for rate rule [C_methyl;C/H2/Nd_Nrad] ! Euclidian distance = 1.4142135623730951 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation CH3(15)+C2H6N(14)=CH4(16)+C2H5N(20) 4.326064e+11 0.133 0.055 ! Reaction index: Chemkin #224; RMG #1447 ! Template reaction: Disproportionation ! Flux pairs: C2H6N(14), C2H5N(20); C2H6N(13), NCC(1); ! Estimated using template [C_sec_rad;C/H2/Nd_Rrad] for rate rule [C_rad/H/NonDeN;C/H2/Nd_Nrad] ! Euclidian distance = 1.4142135623730951 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H6N(14)+C2H6N(13)=C2H5N(20)+NCC(1) 2.529580e+08 1.000 0.237 DUPLICATE ! Reaction index: Chemkin #225; RMG #1448 ! Template reaction: Disproportionation ! Flux pairs: C2H6N(13), C2H5N(20); C2H6N(14), NCC(1); ! Estimated using template [N3s_rad;N3s/H2_s_Rrad] for rate rule [N3s_rad/H/NonDeC;N3s/H2_s_Cssrad] ! Euclidian distance = 3.605551275463989 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H6N(14)+C2H6N(13)=C2H5N(20)+NCC(1) 1.819890e+06 1.940 -1.150 DUPLICATE ! Reaction index: Chemkin #226; RMG #1461 ! Template reaction: Disproportionation ! Flux pairs: C2H6N(14), C2H5N(20); C2H6N(12), NCC(1); ! Estimated using template [C_rad/H2/Cs;C/H2/Nd_Rrad] for rate rule [C_rad/H2/Cs;C/H2/Nd_Nrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H6N(12)+C2H6N(14)=C2H5N(20)+NCC(1) 2.900000e+12 0.000 0.000 ! Reaction index: Chemkin #227; RMG #1466 ! Template reaction: Disproportionation ! Flux pairs: C2H6N(14), C2H5N(20); C2H6N(14), NCC(1); ! Estimated using template [N3s_rad/H/NonDe;XH_s_Rrad] for rate rule [N3s_rad/H/NonDeC;C/H2/Nd_Nrad] ! Euclidian distance = 3.1622776601683795 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H6N(14)+C2H6N(14)=C2H5N(20)+NCC(1) 3.266803e+05 2.315 0.265 ! Reaction index: Chemkin #228; RMG #2709 ! PDep reaction: PDepNetwork #76 ! Flux pairs: H(5), C2H6N(14); C2H5N(20), C2H6N(14); H(5)+C2H5N(20)(+M)=C2H6N(14)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 7.427e+00 5.620e-01 -8.961e-02 -7.100e-04 / CHEB/ -5.454e-01 1.667e-01 3.622e-02 -5.913e-03 / CHEB/ -8.968e-01 4.062e-02 1.632e-02 8.218e-04 / CHEB/ -2.878e-01 -1.169e-02 1.982e-03 2.547e-03 / CHEB/ -9.258e-02 -9.541e-03 -4.350e-03 1.476e-03 / CHEB/ -3.719e-02 5.074e-03 -4.468e-03 1.325e-04 / ! Reaction index: Chemkin #229; RMG #1588 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(20), C2H4N(21); OH(3), H2O(8); ! Estimated using an average for rate rule [C/H3/OneDe;O_pri_rad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction OH(3)+C2H5N(20)=H2O(8)+C2H4N(21) 9.573596e+05 2.190 0.903 ! Reaction index: Chemkin #230; RMG #1593 ! Template reaction: H_Abstraction ! Flux pairs: C2H4N(21), C2H5N(20); HO2(10), O2(2); ! Estimated using average of templates [X_H;C_pri_rad] + [Orad_O_H;Y_rad] for rate rule [Orad_O_H;C_pri_rad] ! Euclidian distance = 2.0 ! family: H_Abstraction HO2(10)+C2H4N(21)=O2(2)+C2H5N(20) 1.483035e+05 1.853 7.340 ! Reaction index: Chemkin #231; RMG #1599 ! Template reaction: H_Abstraction ! Flux pairs: C2H4N(21), C2H5N(20); H2O2(11), HO2(10); ! Estimated using an average for rate rule [H2O2;C_pri_rad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction H2O2(11)+C2H4N(21)=HO2(10)+C2H5N(20) 1.764424e-01 3.774 5.502 ! Reaction index: Chemkin #232; RMG #1607 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(20), C2H4N(21); C2H6N(14), NCC(1); ! Estimated using template [C/H3/OneDe;N3s_rad] for rate rule [C/H3/OneDe;N3s_rad_pri] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction C2H5N(20)+C2H6N(14)=C2H4N(21)+NCC(1) 1.908147e+13 0.000 8.031 ! Reaction index: Chemkin #233; RMG #1608 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(20), C2H4N(21); C2H6N(13), NCC(1); ! Estimated using template [C/H3/OneDe;C_sec_rad] for rate rule [C/H3/OneDe;C_rad/H/NonDeCN] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction C2H5N(20)+C2H6N(13)=C2H4N(21)+NCC(1) 1.381494e-03 4.432 10.997 ! Reaction index: Chemkin #234; RMG #1609 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(20), C2H4N(21); C2H6N(12), NCC(1); ! Estimated using an average for rate rule [C/H3/OneDe;C_rad/H2/Cs] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction C2H5N(20)+C2H6N(12)=C2H4N(21)+NCC(1) 5.153650e-04 4.471 5.188 ! Reaction index: Chemkin #235; RMG #1619 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(20), C2H4N(21); O(6), OH(3); ! Estimated using an average for rate rule [C/H3/OneDe;O_atom_triplet] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction O(6)+C2H5N(20)=OH(3)+C2H4N(21) 7.880000e-03 4.293 11.251 ! Reaction index: Chemkin #236; RMG #1632 ! Template reaction: Disproportionation ! Flux pairs: CH2NH2(26), CH2NH(25); C2H4N(21), C2H5N(20); ! Estimated using template [Y_rad;N3s/H2_s_Cssrad] for rate rule [C_rad/H2/Cd;N3s/H2_s_Cssrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation CH2NH2(26)+C2H4N(21)=CH2NH(25)+C2H5N(20) 3.200000e+06 1.870 -0.630 ! Reaction index: Chemkin #237; RMG #1667 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(20), C2H4N(21); HCNH(69), CH2NH(25); ! Estimated using an average for rate rule [C/H3/OneDe;Y_rad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction HCNH(69)+C2H5N(20)=CH2NH(25)+C2H4N(21) 1.292064e+04 2.655 7.357 ! Reaction index: Chemkin #238; RMG #1673 ! Template reaction: Disproportionation ! Flux pairs: C2H6N(13), C2H5N(20); C2H4N(21), C2H5N(20); ! Estimated using template [Y_rad;N3s/H2_s_Cssrad] for rate rule [C_rad/H2/Cd;N3s/H2_s_Cssrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H4N(21)+C2H6N(13)=C2H5N(20)+C2H5N(20) 3.200000e+06 1.870 -0.630 ! Reaction index: Chemkin #239; RMG #1674 ! Template reaction: Disproportionation ! Flux pairs: C2H6N(13), C2H5N(23); C2H4N(21), C2H5N(20); ! From training reaction 7 used for C_rad/H2/Cd;Cmethyl_Csrad ! Exact match found for rate rule [C_rad/H2/Cd;Cmethyl_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C2H4N(21)+C2H6N(13)=C2H5N(23)+C2H5N(20) 6.870000e+13 -0.350 -0.130 DUPLICATE ! Reaction index: Chemkin #240; RMG #1684 ! Template reaction: Disproportionation ! Flux pairs: C2H6N(13), C2H5N(20); C2H4N(21), C2H5N(23); ! Estimated using template [N3s_rad;N3s/H2_s_Rrad] for rate rule [N3s_rad/H/OneDe;N3s/H2_s_Cssrad] ! Euclidian distance = 2.8284271247461903 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H4N(21)+C2H6N(13)=C2H5N(23)+C2H5N(20) 1.819890e+06 1.940 -1.150 DUPLICATE ! Reaction index: Chemkin #241; RMG #1701 ! Template reaction: H_Abstraction ! Flux pairs: C2H4N(21), C2H5N(20); C2H5N(23), C2H4N(21); ! Estimated using template [N3s/H2/OneDe;Cs_rad] for rate rule [N3s/H2/OneDe;C_pri_rad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction C2H4N(21)+C2H5N(23)=C2H4N(21)+C2H5N(20) 3.200000e+06 1.870 7.180 ! Reaction index: Chemkin #242; RMG #1710 ! Template reaction: Disproportionation ! Flux pairs: C2H6N(12), C2H5N(23); C2H4N(21), C2H5N(20); ! Estimated using an average for rate rule [C_rad/H2/Cd;Cpri_Rrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H4N(21)+C2H6N(12)=C2H5N(23)+C2H5N(20) 2.900000e+12 0.000 -0.130 ! Reaction index: Chemkin #243; RMG #1727 ! Template reaction: Disproportionation ! Flux pairs: C2H6N(14), C2H5N(20); C2H4N(21), C2H5N(20); ! Estimated using template [C_rad/H2/Cd;C/H2/Nd_Rrad] for rate rule [C_rad/H2/Cd;C/H2/Nd_Nrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H4N(21)+C2H6N(14)=C2H5N(20)+C2H5N(20) 2.900000e+12 0.000 -0.130 ! Reaction index: Chemkin #244; RMG #1738 ! Template reaction: Disproportionation ! Flux pairs: C2H6N(14), C2H5N(20); C2H4N(21), C2H5N(23); ! Estimated using template [N3s_rad_pri;XH_s_Rrad] for rate rule [N3s_rad/H/OneDe;C/H2/Nd_Nrad] ! Euclidian distance = 3.1622776601683795 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H4N(21)+C2H6N(14)=C2H5N(23)+C2H5N(20) 3.266803e+05 2.315 0.265 ! Reaction index: Chemkin #245; RMG #1746 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(20), C2H4N(21); CH3(15), CH4(16); ! Estimated using an average for rate rule [C/H3/OneDe;C_methyl] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction CH3(15)+C2H5N(20)=CH4(16)+C2H4N(21) 1.925841e+00 3.800 5.267 ! Reaction index: Chemkin #246; RMG #1759 ! Template reaction: Disproportionation ! Flux pairs: C2H4N(21), CH2CNH(27); C2H4N(21), C2H5N(20); ! From training reaction 48 used for C_rad/H2/Cd;Cdpri_Csrad ! Exact match found for rate rule [C_rad/H2/Cd;Cdpri_Csrad] ! Euclidian distance = 0 ! family: Disproportionation C2H4N(21)+C2H4N(21)=CH2CNH(27)+C2H5N(20) 8.430000e+10 0.000 6.000 ! Reaction index: Chemkin #247; RMG #1767 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(20), C2H4N(21); C2H3N(165), C2H4N(21); ! Estimated using average of templates [Cs_H;N3d_rad/OneDe] + [C/H3/OneDe;N3_rad] for rate rule [C/H3/OneDe;N3d_rad/OneDe] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction C2H3N(165)+C2H5N(20)=C2H4N(21)+C2H4N(21) 2.473334e+13 0.000 8.052 ! Reaction index: Chemkin #248; RMG #1805 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(20), CH3CHN(22); OH(3), H2O(8); ! Estimated using template [N3d/H/NonDe;O_pri_rad] for rate rule [N3d/H/NonDeC;O_pri_rad] ! Euclidian distance = 1.0 ! family: H_Abstraction OH(3)+C2H5N(20)=H2O(8)+CH3CHN(22) 2.400000e+06 2.000 -1.190 ! Reaction index: Chemkin #249; RMG #1808 ! Template reaction: H_Abstraction ! Flux pairs: CH3CHN(22), C2H5N(20); HO2(10), O2(2); ! Estimated using template [X_H;N3d_rad/OneDe] for rate rule [Orad_O_H;N3d_rad/OneDe] ! Euclidian distance = 2.0 ! family: H_Abstraction HO2(10)+CH3CHN(22)=O2(2)+C2H5N(20) 5.930153e+06 1.827 6.480 ! Reaction index: Chemkin #250; RMG #1811 ! Template reaction: H_Abstraction ! Flux pairs: CH3CHN(22), C2H5N(20); H2O2(11), HO2(10); ! Estimated using template [O_sec;N3_rad] for rate rule [H2O2;N3d_rad/OneDe] ! Euclidian distance = 2.8284271247461903 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction H2O2(11)+CH3CHN(22)=HO2(10)+C2H5N(20) 1.840000e+06 1.940 2.487 ! Reaction index: Chemkin #251; RMG #1815 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(20), CH3CHN(22); C2H6N(14), NCC(1); ! Estimated using template [N3d/H/NonDeC;N3s_rad] for rate rule [N3d/H/NonDeC;N3s_rad_pri] ! Euclidian distance = 1.0 ! family: H_Abstraction C2H5N(20)+C2H6N(14)=CH3CHN(22)+NCC(1) 9.200000e+05 1.940 4.440 ! Reaction index: Chemkin #252; RMG #1816 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(20), CH3CHN(22); C2H6N(13), NCC(1); ! Estimated using template [N3d/H/NonDeC;Cs_rad] for rate rule [N3d/H/NonDeC;C_rad/H/NonDeCN] ! Euclidian distance = 2.0 ! family: H_Abstraction C2H5N(20)+C2H6N(13)=CH3CHN(22)+NCC(1) 8.200000e+05 1.870 13.433 ! Reaction index: Chemkin #253; RMG #1817 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(20), CH3CHN(22); C2H6N(12), NCC(1); ! Estimated using template [N3d/H/NonDeC;Cs_rad] for rate rule [N3d/H/NonDeC;C_rad/H2/Cs] ! Euclidian distance = 2.0 ! family: H_Abstraction C2H5N(20)+C2H6N(12)=CH3CHN(22)+NCC(1) 8.200000e+05 1.870 13.433 ! Reaction index: Chemkin #254; RMG #1822 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(20), CH3CHN(22); O(6), OH(3); ! From training reaction 669 used for N3d/H/NonDeC;O_atom_triplet ! Exact match found for rate rule [N3d/H/NonDeC;O_atom_triplet] ! Euclidian distance = 0 ! family: H_Abstraction O(6)+C2H5N(20)=OH(3)+CH3CHN(22) 1.700000e+08 1.500 20.543 ! Reaction index: Chemkin #255; RMG #1829 ! Template reaction: Disproportionation ! Flux pairs: CH2NH2(26), CH2NH(25); CH3CHN(22), C2H5N(20); ! Estimated using template [N3_rad;N3s/H2_s_Rrad] for rate rule [N3d_rad/C;N3s/H2_s_Cssrad] ! Euclidian distance = 2.8284271247461903 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation CH2NH2(26)+CH3CHN(22)=CH2NH(25)+C2H5N(20) 1.819890e+06 1.940 -1.150 ! Reaction index: Chemkin #256; RMG #1847 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(20), CH3CHN(22); HCNH(69), CH2NH(25); ! From training reaction 670 used for N3d/H/NonDeC;Y_rad ! Exact match found for rate rule [N3d/H/NonDeC;Y_rad] ! Euclidian distance = 0 ! family: H_Abstraction HCNH(69)+C2H5N(20)=CH2NH(25)+CH3CHN(22) 1.200000e+06 2.000 -0.090 ! Reaction index: Chemkin #257; RMG #1849 ! Template reaction: Disproportionation ! Flux pairs: C2H6N(13), C2H5N(20); CH3CHN(22), C2H5N(20); ! Estimated using template [N3_rad;N3s/H2_s_Rrad] for rate rule [N3d_rad/C;N3s/H2_s_Cssrad] ! Euclidian distance = 2.8284271247461903 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation CH3CHN(22)+C2H6N(13)=C2H5N(20)+C2H5N(20) 1.819890e+06 1.940 -1.150 ! Reaction index: Chemkin #258; RMG #1850 ! Template reaction: Disproportionation ! Flux pairs: C2H6N(13), C2H5N(23); CH3CHN(22), C2H5N(20); ! Estimated using template [N3d_rad/C;XH_s_Rrad] for rate rule [N3d_rad/C;Cmethyl_Csrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation CH3CHN(22)+C2H6N(13)=C2H5N(23)+C2H5N(20) 4.200000e+04 2.690 -1.610 ! Reaction index: Chemkin #259; RMG #1863 ! Template reaction: H_Abstraction ! Flux pairs: CH3CHN(22), C2H5N(20); C2H5N(23), C2H4N(21); ! Estimated using template [N3s_pri_H;N3d_rad] for rate rule [N3s/H2/OneDe;N3d_rad/OneDe] ! Euclidian distance = 1.4142135623730951 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction CH3CHN(22)+C2H5N(23)=C2H4N(21)+C2H5N(20) 3.220000e+01 3.160 30.488 ! Reaction index: Chemkin #260; RMG #1867 ! Template reaction: Disproportionation ! Flux pairs: C2H6N(12), C2H5N(23); CH3CHN(22), C2H5N(20); ! Estimated using template [N3d_rad/C;XH_s_Rrad] for rate rule [N3d_rad/C;Cpri_Rrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation CH3CHN(22)+C2H6N(12)=C2H5N(23)+C2H5N(20) 2.800000e+04 2.690 -1.610 ! Reaction index: Chemkin #261; RMG #1875 ! Template reaction: Disproportionation ! Flux pairs: C2H6N(14), C2H5N(20); CH3CHN(22), C2H5N(20); ! Estimated using template [N3d_rad/C;XH_s_Rrad] for rate rule [N3d_rad/C;C/H2/Nd_Nrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation CH3CHN(22)+C2H6N(14)=C2H5N(20)+C2H5N(20) 2.800000e+04 2.690 -1.610 ! Reaction index: Chemkin #262; RMG #1883 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(20), CH3CHN(22); CH3(15), CH4(16); ! From training reaction 671 used for N3d/H/NonDeC;C_methyl ! Exact match found for rate rule [N3d/H/NonDeC;C_methyl] ! Euclidian distance = 0 ! family: H_Abstraction CH3(15)+C2H5N(20)=CH4(16)+CH3CHN(22) 8.200000e+05 1.870 13.433 ! Reaction index: Chemkin #263; RMG #1891 ! Template reaction: Disproportionation ! Flux pairs: C2H4N(21), CH2CNH(27); CH3CHN(22), C2H5N(20); ! Estimated using template [N3d_rad/C;XH_s_Rrad] for rate rule [N3d_rad/C;Cdpri_Csrad] ! Euclidian distance = 2.0 ! family: Disproportionation C2H4N(21)+CH3CHN(22)=CH2CNH(27)+C2H5N(20) 1.400000e+04 2.690 -1.610 ! Reaction index: Chemkin #264; RMG #1900 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(20), CH3CHN(22); C2H3N(165), C2H4N(21); ! Estimated using template [N3d/H/NonDeC;N3_rad] for rate rule [N3d/H/NonDeC;N3d_rad/OneDe] ! Euclidian distance = 2.0 ! family: H_Abstraction C2H3N(165)+C2H5N(20)=C2H4N(21)+CH3CHN(22) 9.200000e+05 1.940 4.440 DUPLICATE ! Reaction index: Chemkin #265; RMG #1901 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(20), C2H4N(21); C2H3N(165), CH3CHN(22); ! Estimated using template [N3d/H/NonDeC;N3_rad] for rate rule [N3d/H/NonDeC;N3d_rad/OneDe] ! Euclidian distance = 2.0 ! family: H_Abstraction C2H3N(165)+C2H5N(20)=C2H4N(21)+CH3CHN(22) 9.200000e+05 1.940 4.440 DUPLICATE ! Reaction index: Chemkin #266; RMG #1909 ! Template reaction: H_Abstraction ! Flux pairs: CH3CHN(22), C2H5N(20); CH3CHN(22), C2H3N(165); ! Estimated using average of templates [Cs_H;N3d_rad/OneDe] + [C/H3/OneDe;N3_rad] for rate rule [C/H3/OneDe;N3d_rad/OneDe] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction CH3CHN(22)+CH3CHN(22)=C2H3N(165)+C2H5N(20) 2.473334e+13 0.000 8.052 ! Reaction index: Chemkin #267; RMG #2254 ! Template reaction: Disproportionation ! Flux pairs: C2H6N(13), C2H5N(20); C2H3N(165), C2H4N(21); ! Estimated using template [N3_rad;N3s/H2_s_Rrad] for rate rule [N3d_rad/C;N3s/H2_s_Cssrad] ! Euclidian distance = 2.8284271247461903 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H3N(165)+C2H6N(13)=C2H4N(21)+C2H5N(20) 1.819890e+06 1.940 -1.150 ! Reaction index: Chemkin #268; RMG #2255 ! Template reaction: Disproportionation ! Flux pairs: C2H6N(13), C2H5N(20); C2H3N(165), CH3CHN(22); ! Estimated using template [Y_rad;N3s/H2_s_Cssrad] for rate rule [C_rad/H2/Cd;N3s/H2_s_Cssrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H3N(165)+C2H6N(13)=CH3CHN(22)+C2H5N(20) 3.200000e+06 1.870 -0.630 ! Reaction index: Chemkin #269; RMG #2294 ! Template reaction: Disproportionation ! Flux pairs: C2H6N(14), C2H5N(20); C2H3N(165), C2H4N(21); ! Estimated using template [N3d_rad/C;XH_s_Rrad] for rate rule [N3d_rad/C;C/H2/Nd_Nrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H3N(165)+C2H6N(14)=C2H4N(21)+C2H5N(20) 2.800000e+04 2.690 -1.610 ! Reaction index: Chemkin #270; RMG #2295 ! Template reaction: Disproportionation ! Flux pairs: C2H6N(14), C2H5N(20); C2H3N(165), CH3CHN(22); ! Estimated using template [C_rad/H2/Cd;C/H2/Nd_Rrad] for rate rule [C_rad/H2/Cd;C/H2/Nd_Nrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H3N(165)+C2H6N(14)=CH3CHN(22)+C2H5N(20) 2.900000e+12 0.000 -0.130 ! Reaction index: Chemkin #271; RMG #2458 ! Template reaction: Disproportionation ! Flux pairs: C2H6N(13), C2H5N(20); HCNH(69), CH2NH(25); ! From training reaction 130 used for Y_rad;N3s/H2_s_Cssrad ! Exact match found for rate rule [Y_rad;N3s/H2_s_Cssrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation HCNH(69)+C2H6N(13)=CH2NH(25)+C2H5N(20) 3.200000e+06 1.870 -0.630 ! Reaction index: Chemkin #272; RMG #2479 ! Template reaction: Disproportionation ! Flux pairs: C2H6N(14), C2H5N(20); HCNH(69), CH2NH(25); ! Estimated using template [Y_rad;C/H2/Nd_Rrad] for rate rule [Y_rad;C/H2/Nd_Nrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation HCNH(69)+C2H6N(14)=CH2NH(25)+C2H5N(20) 8.573997e+11 0.200 -0.100 ! Reaction index: Chemkin #273; RMG #2493 ! Template reaction: Disproportionation ! Flux pairs: HCNH(69), HCN(28); C2H4N(21), C2H5N(20); ! Estimated using template [Y_rad;N3d/H_d_Crad] for rate rule [C_rad/H2/Cd;N3d/H_d_Crad] ! Euclidian distance = 3.0 ! family: Disproportionation HCNH(69)+C2H4N(21)=HCN(28)+C2H5N(20) 8.200000e+05 1.870 -1.110 ! Reaction index: Chemkin #274; RMG #2506 ! Template reaction: Disproportionation ! Flux pairs: HCNH(69), HCN(28); CH3CHN(22), C2H5N(20); ! Estimated using template [N3d_rad;N3d/H_d_Rrad] for rate rule [N3d_rad/C;N3d/H_d_Crad] ! Euclidian distance = 1.4142135623730951 ! family: Disproportionation HCNH(69)+CH3CHN(22)=HCN(28)+C2H5N(20) 1.200000e+06 2.000 -1.190 ! Reaction index: Chemkin #275; RMG #2549 ! PDep reaction: PDepNetwork #49 ! Flux pairs: H(5), C2H5N(20); C2H4N(21), C2H5N(20); H(5)+C2H4N(21)(+M)=C2H5N(20)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.363e+01 2.142e-01 -1.796e-02 1.102e-03 / CHEB/ -7.719e-01 3.581e-01 -2.158e-02 -9.180e-05 / CHEB/ -5.866e-01 2.156e-01 -1.238e-04 -1.962e-03 / CHEB/ -3.698e-01 9.019e-02 9.720e-03 -1.292e-03 / CHEB/ -1.989e-01 1.994e-02 7.732e-03 1.645e-04 / CHEB/ -9.081e-02 -5.212e-03 2.617e-03 6.779e-04 / ! Reaction index: Chemkin #276; RMG #2557 ! PDep reaction: PDepNetwork #53 ! Flux pairs: CH3CHN(22), C2H4N(21); H(5), H(5); H(5)+CH3CHN(22)(+M)=H(5)+C2H4N(21)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.118e+01 -6.226e-01 -2.489e-02 1.425e-03 / CHEB/ 2.028e+00 5.311e-01 -9.744e-03 -2.462e-03 / CHEB/ 1.013e-01 1.737e-01 2.549e-02 -2.343e-03 / CHEB/ -1.212e-01 -1.876e-02 1.782e-02 1.650e-03 / CHEB/ -4.928e-02 -4.596e-02 -3.537e-04 2.172e-03 / CHEB/ -4.829e-03 -2.110e-02 -5.760e-03 3.269e-04 / ! Reaction index: Chemkin #277; RMG #2565 ! PDep reaction: PDepNetwork #74 ! Flux pairs: HCNH(69), C2H4N(21); CH3(15), H(5); HCNH(69)+CH3(15)(+M)=H(5)+C2H4N(21)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.143e+01 -6.211e-01 -3.045e-02 2.357e-03 / CHEB/ 1.155e+00 5.117e-01 -8.355e-03 -3.677e-03 / CHEB/ 1.386e-01 1.702e-01 2.671e-02 -2.754e-03 / CHEB/ -6.663e-02 -6.152e-03 1.782e-02 1.726e-03 / CHEB/ -4.577e-02 -3.595e-02 7.251e-04 2.200e-03 / CHEB/ -1.116e-02 -1.937e-02 -4.565e-03 4.580e-04 / ! Reaction index: Chemkin #278; RMG #2555 ! PDep reaction: PDepNetwork #53 ! Flux pairs: H(5), C2H5N(20); CH3CHN(22), C2H5N(20); H(5)+CH3CHN(22)(+M)=C2H5N(20)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.348e+01 2.187e-01 -1.829e-02 1.129e-03 / CHEB/ -6.850e-01 3.647e-01 -2.172e-02 -1.389e-04 / CHEB/ -5.742e-01 2.185e-01 2.657e-04 -2.051e-03 / CHEB/ -3.689e-01 9.050e-02 1.012e-02 -1.322e-03 / CHEB/ -1.987e-01 1.913e-02 7.903e-03 1.879e-04 / CHEB/ -8.956e-02 -6.445e-03 2.678e-03 6.951e-04 / ! Reaction index: Chemkin #279; RMG #2564 ! PDep reaction: PDepNetwork #74 ! Flux pairs: HCNH(69), CH3CHN(22); CH3(15), H(5); HCNH(69)+CH3(15)(+M)=H(5)+CH3CHN(22)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.117e+01 -6.200e-01 -3.045e-02 2.370e-03 / CHEB/ 1.241e+00 5.127e-01 -8.128e-03 -3.682e-03 / CHEB/ 1.356e-01 1.697e-01 2.693e-02 -2.736e-03 / CHEB/ -7.317e-02 -6.874e-03 1.781e-02 1.757e-03 / CHEB/ -4.540e-02 -3.637e-02 5.658e-04 2.213e-03 / CHEB/ -1.399e-02 -1.973e-02 -4.674e-03 4.492e-04 / ! Reaction index: Chemkin #280; RMG #2563 ! PDep reaction: PDepNetwork #74 ! Flux pairs: HCNH(69), C2H5N(20); CH3(15), C2H5N(20); HCNH(69)+CH3(15)(+M)=C2H5N(20)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.326e+01 2.298e-01 -2.804e-02 2.840e-03 / CHEB/ -6.966e-01 3.517e-01 -2.567e-02 -7.977e-04 / CHEB/ -4.934e-01 1.911e-01 3.032e-03 -3.306e-03 / CHEB/ -3.008e-01 7.437e-02 1.120e-02 -1.576e-03 / CHEB/ -1.621e-01 1.772e-02 7.073e-03 3.182e-04 / CHEB/ -7.652e-02 -2.158e-03 2.189e-03 6.689e-04 / ! Reaction index: Chemkin #281; RMG #2572 ! Template reaction: Disproportionation ! Estimated using template [C_sec_rad;C/H2/Nd_Rrad] for rate rule [C_rad/H/NonDeN;C/H2/Nd_Nrad] ! Euclidian distance = 1.4142135623730951 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H6N(14)+C2H6N(13)=C2H5N(20)+NCC(1) 2.529580e+08 1.000 0.237 DUPLICATE ! Reaction index: Chemkin #282; RMG #2573 ! Template reaction: Disproportionation ! Estimated using template [N3s_rad;N3s/H2_s_Rrad] for rate rule [N3s_rad/H/NonDeC;N3s/H2_s_Cssrad] ! Euclidian distance = 3.605551275463989 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H6N(14)+C2H6N(13)=C2H5N(20)+NCC(1) 1.819890e+06 1.940 -1.150 DUPLICATE ! Reaction index: Chemkin #283; RMG #2610 ! Template reaction: Disproportionation ! Estimated using template [N3s_rad;N3s/H2_s_Rrad] for rate rule [N3s_rad/H/OneDe;N3s/H2_s_Cssrad] ! Euclidian distance = 2.8284271247461903 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H4N(21)+C2H6N(13)=C2H5N(23)+C2H5N(20) 1.819890e+06 1.940 -1.150 DUPLICATE ! Reaction index: Chemkin #284; RMG #2612 ! Template reaction: Disproportionation ! From training reaction 7 used for C_rad/H2/Cd;Cmethyl_Csrad ! Exact match found for rate rule [C_rad/H2/Cd;Cmethyl_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C2H4N(21)+C2H6N(13)=C2H5N(23)+C2H5N(20) 6.870000e+13 -0.350 -0.130 DUPLICATE ! Reaction index: Chemkin #285; RMG #2646 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(20), C2H4N(21); CH3CHN(22), C2H5N(20); ! Estimated using average of templates [Cs_H;N3d_rad/OneDe] + [C/H3/OneDe;N3_rad] for rate rule [C/H3/OneDe;N3d_rad/OneDe] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction CH3CHN(22)+C2H5N(20)=C2H4N(21)+C2H5N(20) 2.473334e+13 0.000 8.052 ! Reaction index: Chemkin #286; RMG #2682 ! Template reaction: H_Abstraction ! Flux pairs: C2H4N(21), C2H3N(165); CH3CHN(22), C2H5N(20); ! Estimated using average of templates [N3_H;N3d_rad/OneDe] + [N3d/H/NonDe;N3_rad] for rate rule [N3d/H/NonDe;N3d_rad/OneDe] ! Euclidian distance = 2.0 ! family: H_Abstraction C2H4N(21)+CH3CHN(22)=C2H3N(165)+C2H5N(20) 1.794956e+05 2.210 4.027 DUPLICATE ! Reaction index: Chemkin #287; RMG #2684 ! Template reaction: H_Abstraction ! Flux pairs: CH3CHN(22), C2H3N(165); C2H4N(21), C2H5N(20); ! Estimated using an average for rate rule [C/H3/OneDe;C_pri_rad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction C2H4N(21)+CH3CHN(22)=C2H3N(165)+C2H5N(20) 2.845679e-03 4.364 11.386 DUPLICATE ! Reaction index: Chemkin #288; RMG #126 ! Library reaction: FFCM1(-) ! Flux pairs: CH3(15), CO(30); O(6), H(5); O(6), H2(7); O(6)+CH3(15)=H(5)+H2(7)+CO(30) 2.384000e+13 0.000 0.000 ! Reaction index: Chemkin #289; RMG #1562 ! PDep reaction: PDepNetwork #36 ! Flux pairs: CH2O(36), H2(7); CH2O(36), CO(30); CH2O(36)(+M)=H2(7)+CO(30)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ -1.641e+01 3.570e-01 -7.362e-02 9.033e-03 / CHEB/ 2.274e+01 2.599e-01 2.101e-03 -8.776e-03 / CHEB/ -3.213e-01 1.285e-01 6.814e-03 -3.081e-03 / CHEB/ -1.612e-01 3.142e-02 9.079e-03 -4.079e-04 / CHEB/ -7.834e-02 4.717e-03 3.526e-03 3.281e-04 / CHEB/ -3.437e-02 -3.614e-03 1.372e-03 2.597e-04 / ! Reaction index: Chemkin #290; RMG #2766 ! PDep reaction: PDepNetwork #8 ! Flux pairs: CH3(15), C2H6(47); CH3(15), C2H6(47); CH3(15)+CH3(15)(+M)=C2H6(47)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.298e+01 1.702e-01 -1.672e-02 6.593e-04 / CHEB/ -7.407e-01 2.897e-01 -2.258e-02 -2.261e-04 / CHEB/ -4.977e-01 1.834e-01 -4.455e-03 -1.713e-03 / CHEB/ -2.873e-01 8.601e-02 5.812e-03 -1.308e-03 / CHEB/ -1.548e-01 2.714e-02 6.505e-03 -1.284e-04 / CHEB/ -7.625e-02 2.607e-03 3.258e-03 4.932e-04 / ! Reaction index: Chemkin #291; RMG #2996 ! PDep reaction: PDepNetwork #84 ! Flux pairs: C2H4N(164), C2H4N(21); C2H4N(164)(+M)=C2H4N(21)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 5.942e+00 5.046e-01 -5.612e-02 6.344e-04 / CHEB/ 3.619e+00 3.704e-01 1.652e-02 -5.927e-03 / CHEB/ -2.127e-01 8.460e-02 1.658e-02 7.315e-05 / CHEB/ -4.408e-02 1.429e-03 3.839e-03 9.378e-04 / CHEB/ 4.687e-03 -4.810e-03 -5.095e-04 3.284e-04 / CHEB/ 9.219e-04 1.580e-03 -3.047e-04 5.880e-05 / ! Reaction index: Chemkin #292; RMG #2407 ! PDep reaction: PDepNetwork #65 ! Flux pairs: H(5), C2H4N(164); C2H3N(165), C2H4N(164); H(5)+C2H3N(165)(+M)=C2H4N(164)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.216e+01 2.800e-01 -5.751e-02 7.346e-03 / CHEB/ 1.869e-01 2.618e-01 -1.049e-02 -5.269e-03 / CHEB/ -6.241e-02 6.820e-02 2.116e-02 -3.940e-03 / CHEB/ -1.148e-01 3.244e-02 7.680e-03 1.096e-04 / CHEB/ -1.404e-01 3.665e-02 -3.997e-03 3.596e-04 / CHEB/ -1.113e-01 2.103e-02 -4.041e-03 -3.726e-05 / ! Reaction index: Chemkin #293; RMG #62 ! Library reaction: FFCM1(-) ! Flux pairs: HCO(32), H(5); HCO(32), CO(30); HCO(32)+M=H(5)+CO(30)+M 4.800e+17 -1.200 17.734 Ar/1.40/ He(9)/1.31/ N2(42)/1.31/ H2(7)/1.31/ O2(2)/1.32/ H2O(8)/15.31/ CO(30)/2.40/ CO2(31)/2.00/ CH4(16)/2.60/ CH2O(36)/3.29/ C2H6(47)/3.00/ ! Reaction index: Chemkin #294; RMG #63 ! Library reaction: FFCM1(-) ! Flux pairs: HCO(32), CO(30); H(5), H2(7); H(5)+HCO(32)=H2(7)+CO(30) 8.482000e+13 0.000 0.000 ! Reaction index: Chemkin #295; RMG #64 ! Library reaction: FFCM1(-) ! Flux pairs: HCO(32), CO(30); O(6), OH(3); O(6)+HCO(32)=OH(3)+CO(30) 3.010000e+13 0.000 0.000 ! Reaction index: Chemkin #296; RMG #66 ! Library reaction: FFCM1(-) ! Flux pairs: HCO(32), CO(30); OH(3), H2O(8); OH(3)+HCO(32)=H2O(8)+CO(30) 1.199000e+14 0.000 0.000 ! Reaction index: Chemkin #297; RMG #67 ! Library reaction: FFCM1(-) ! Flux pairs: HCO(32), CO(30); O2(2), HO2(10); O2(2)+HCO(32)=HO2(10)+CO(30) 7.562000e+10 0.521 -0.521 ! Reaction index: Chemkin #298; RMG #114 ! Library reaction: FFCM1(-) ! Flux pairs: CH2O(36), HCO(32); H(5), H2(7); H(5)+CH2O(36)=H2(7)+HCO(32) 7.149000e+07 1.900 2.742 ! Reaction index: Chemkin #299; RMG #115 ! Library reaction: FFCM1(-) ! Flux pairs: CH2O(36), HCO(32); O(6), OH(3); O(6)+CH2O(36)=OH(3)+HCO(32) 4.244000e+11 0.570 2.762 ! Reaction index: Chemkin #300; RMG #116 ! Library reaction: FFCM1(-) ! Flux pairs: CH2O(36), HCO(32); OH(3), H2O(8); OH(3)+CH2O(36)=H2O(8)+HCO(32) 8.338000e+07 1.630 -1.055 ! Reaction index: Chemkin #301; RMG #117 ! Library reaction: FFCM1(-) ! Flux pairs: CH2O(36), HCO(32); O2(2), HO2(10); O2(2)+CH2O(36)=HO2(10)+HCO(32) 3.297000e+05 2.500 36.460 ! Reaction index: Chemkin #302; RMG #118 ! Library reaction: FFCM1(-) ! Flux pairs: CH2O(36), HCO(32); HO2(10), H2O2(11); HO2(10)+CH2O(36)=H2O2(11)+HCO(32) 7.111000e+04 2.500 10.210 ! Reaction index: Chemkin #303; RMG #141 ! Library reaction: FFCM1(-) ! Flux pairs: HCO(32), CO(30); CH3(15), CH4(16); HCO(32)+CH3(15)=CO(30)+CH4(16) 5.300000e+12 0.000 0.000 ! Reaction index: Chemkin #304; RMG #142 ! Library reaction: FFCM1(-) ! Flux pairs: CH2O(36), HCO(32); CH3(15), CH4(16); CH2O(36)+CH3(15)=HCO(32)+CH4(16) 3.213000e+01 3.360 4.310 ! Reaction index: Chemkin #305; RMG #267 ! Library reaction: FFCM1(-) ! Flux pairs: C2H4(24), HCO(32); O(6), CH3(15); O(6)+C2H4(24)=HCO(32)+CH3(15) 8.355000e+06 1.880 0.183 ! Reaction index: Chemkin #306; RMG #729 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: HCO(32), CH2O(36); HCO(32), CO(30); HCO(32)+HCO(32)=CO(30)+CH2O(36) 2.700000e+13 0.000 0.000 ! Reaction index: Chemkin #307; RMG #1530 ! Template reaction: Disproportionation ! Estimated using template [Y_rad;N3s/H2_s_Cssrad] for rate rule [CO_pri_rad;N3s/H2_s_Cssrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation HCO(32)+CH2NH2(26)=CH2O(36)+CH2NH(25) 3.200000e+06 1.870 -0.630 ! Reaction index: Chemkin #308; RMG #1538 ! Template reaction: H_Abstraction ! Flux pairs: C2H6N(13), NCC(1); CH2O(36), HCO(32); ! Estimated using template [CO_pri;C_sec_rad] for rate rule [CO_pri;C_rad/H/NonDeCN] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction CH2O(36)+C2H6N(13)=HCO(32)+NCC(1) 1.080000e+11 0.000 6.960 ! Reaction index: Chemkin #309; RMG #1545 ! Template reaction: Disproportionation ! Estimated using template [CO_pri_rad;XH_s_Rrad] for rate rule [CO_pri_rad;Cpri_Rrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation HCO(32)+C2H6N(12)=CH2O(36)+C2H5N(23) 3.620000e+14 0.000 0.000 ! Reaction index: Chemkin #310; RMG #1546 ! Template reaction: Disproportionation ! Estimated using average of templates [Y_rad;Cmethyl_Csrad] + [CO_pri_rad;XH_s_Rrad] for rate rule [CO_pri_rad;Cmethyl_Csrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation HCO(32)+C2H6N(13)=CH2O(36)+C2H5N(23) 5.972864e+14 -0.340 0.000 ! Reaction index: Chemkin #311; RMG #1553 ! Template reaction: H_Abstraction ! Flux pairs: C2H6N(12), NCC(1); CH2O(36), HCO(32); ! Estimated using an average for rate rule [CO_pri;C_rad/H2/Cs] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction CH2O(36)+C2H6N(12)=HCO(32)+NCC(1) 5.500000e+03 2.810 5.860 ! Reaction index: Chemkin #312; RMG #1560 ! Template reaction: H_Abstraction ! Flux pairs: C2H6N(14), NCC(1); CH2O(36), HCO(32); ! Estimated using template [X_H;N3s_rad] for rate rule [CO_pri;N3s_rad_pri] ! Euclidian distance = 2.23606797749979 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction CH2O(36)+C2H6N(14)=HCO(32)+NCC(1) 8.959492e+07 1.503 6.347 ! Reaction index: Chemkin #313; RMG #3129 ! PDep reaction: PDepNetwork #87 ! Flux pairs: H(5), CH2O(36); HCO(32), CH2O(36); H(5)+HCO(32)(+M)=CH2O(36)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.241e+01 9.332e-01 -2.831e-02 -7.598e-03 / CHEB/ -9.386e-01 5.694e-02 2.322e-02 5.660e-03 / CHEB/ -3.616e-01 6.279e-03 3.086e-03 1.080e-03 / CHEB/ -1.442e-01 -2.064e-03 -6.058e-04 5.471e-06 / CHEB/ -6.726e-02 9.111e-04 2.691e-04 1.088e-05 / CHEB/ -1.119e-02 -3.272e-03 -1.185e-03 -2.019e-04 / ! Reaction index: Chemkin #314; RMG #1756 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(20), C2H4N(21); HCO(32), CH2O(36); ! Estimated using template [C_pri;CO_pri_rad] for rate rule [C/H3/OneDe;CO_pri_rad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction HCO(32)+C2H5N(20)=CH2O(36)+C2H4N(21) 2.346000e+04 2.720 38.240 ! Reaction index: Chemkin #315; RMG #1758 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(23), C2H4N(21); HCO(32), CH2O(36); ! Estimated using template [N3s/H2/OneDe;Y_rad] for rate rule [N3s/H2/OneDe;CO_pri_rad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction HCO(32)+C2H5N(23)=CH2O(36)+C2H4N(21) 4.985154e+06 2.000 6.338 ! Reaction index: Chemkin #316; RMG #1889 ! Template reaction: H_Abstraction ! Flux pairs: CH3CHN(22), C2H5N(20); CH2O(36), HCO(32); ! Estimated using template [X_H;N3d_rad/OneDe] for rate rule [CO_pri;N3d_rad/OneDe] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction CH2O(36)+CH3CHN(22)=HCO(32)+C2H5N(20) 1.186031e+07 1.827 6.480 ! Reaction index: Chemkin #317; RMG #1978 ! Template reaction: Disproportionation ! Flux pairs: HCO(32), HCN(28); HCNH(69), CH2O(36); ! Estimated using template [Y_rad;N3d/H_d_Crad] for rate rule [CO_pri_rad;N3d/H_d_Crad] ! Euclidian distance = 2.0 ! family: Disproportionation HCO(32)+HCNH(69)=HCN(28)+CH2O(36) 8.200000e+05 1.870 -1.110 ! Reaction index: Chemkin #318; RMG #2114 ! Template reaction: Disproportionation ! Estimated using template [CO_pri_rad;XH_s_Rrad] for rate rule [CO_pri_rad;Cdpri_Nrad] ! Euclidian distance = 2.0 ! family: Disproportionation HCO(32)+C2H4N(21)=CH2O(36)+CH2CNH(27) 1.810000e+14 0.000 0.000 ! Reaction index: Chemkin #319; RMG #2315 ! Template reaction: H_Abstraction ! Flux pairs: C2H3N(165), C2H4N(21); CH2O(36), HCO(32); ! Estimated using template [X_H;N3d_rad/OneDe] for rate rule [CO_pri;N3d_rad/OneDe] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction CH2O(36)+C2H3N(165)=HCO(32)+C2H4N(21) 1.186031e+07 1.827 6.480 ! Reaction index: Chemkin #320; RMG #2316 ! Template reaction: H_Abstraction ! Flux pairs: CH3CHN(22), C2H3N(165); HCO(32), CH2O(36); ! Estimated using template [C_pri;CO_pri_rad] for rate rule [C/H3/OneDe;CO_pri_rad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction HCO(32)+CH3CHN(22)=CH2O(36)+C2H3N(165) 2.346000e+04 2.720 38.240 ! Reaction index: Chemkin #321; RMG #2492 ! Template reaction: H_Abstraction ! Flux pairs: HCNH(69), CH2NH(25); CH2O(36), HCO(32); ! From training reaction 362 used for CO_pri;Y_rad ! Exact match found for rate rule [CO_pri;Y_rad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction CH2O(36)+HCNH(69)=HCO(32)+CH2NH(25) 7.780000e-08 6.100 1.970 ! Reaction index: Chemkin #322; RMG #2628 ! Template reaction: Disproportionation ! Flux pairs: HCO(32), C2H5N(20); C2H6N(13), CH2O(36); ! Estimated using template [Y_rad;N3s/H2_s_Cssrad] for rate rule [CO_pri_rad;N3s/H2_s_Cssrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation HCO(32)+C2H6N(13)=CH2O(36)+C2H5N(20) 3.200000e+06 1.870 -0.630 ! Reaction index: Chemkin #323; RMG #2629 ! Template reaction: Disproportionation ! Estimated using template [Y_rad;C/H2/Nd_Rrad] for rate rule [CO_pri_rad;C/H2/Nd_Nrad] ! Euclidian distance = 2.23606797749979 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation HCO(32)+C2H6N(14)=CH2O(36)+C2H5N(20) 8.573997e+11 0.200 -0.100 ! Reaction index: Chemkin #324; RMG #2727 ! Template reaction: CO_Disproportionation ! Flux pairs: HO2(10), H2O2(11); HCO(32), CO(30); ! Estimated using template [O_sec_rad;HCO] for rate rule [O_rad/NonDeO;HCO] ! Euclidian distance = 1.0 ! family: CO_Disproportionation HO2(10)+HCO(32)=H2O2(11)+CO(30) 1.240000e+23 -3.290 2.355 ! Reaction index: Chemkin #325; RMG #2728 ! Template reaction: CO_Disproportionation ! Flux pairs: C2H6N(14), NCC(1); HCO(32), CO(30); ! Estimated using template [N3_rad;HCO] for rate rule [N3s_rad/H/NonDeC;HCO] ! Euclidian distance = 4.0 ! family: CO_Disproportionation HCO(32)+C2H6N(14)=CO(30)+NCC(1) 7.100000e+12 0.000 0.000 ! Reaction index: Chemkin #326; RMG #2729 ! Template reaction: CO_Disproportionation ! Estimated using template [C_sec_rad;HCO] for rate rule [C_rad/H/NonDeN;HCO] ! Euclidian distance = 1.0 ! family: CO_Disproportionation HCO(32)+C2H6N(13)=CO(30)+NCC(1) 1.200000e+14 0.000 0.000 ! Reaction index: Chemkin #327; RMG #2730 ! Template reaction: CO_Disproportionation ! From training reaction 12 used for C_rad/H2/Cs;HCO ! Exact match found for rate rule [C_rad/H2/Cs;HCO] ! Euclidian distance = 0 ! family: CO_Disproportionation HCO(32)+C2H6N(12)=CO(30)+NCC(1) 4.300000e+13 0.000 0.000 ! Reaction index: Chemkin #328; RMG #2737 ! Template reaction: CO_Disproportionation ! Estimated using an average for rate rule [Y_rad;HCO] ! Euclidian distance = 0 ! family: CO_Disproportionation HCO(32)+HCNH(69)=CO(30)+CH2NH(25) 1.347651e+15 -0.548 0.393 ! Reaction index: Chemkin #329; RMG #2741 ! Template reaction: CO_Disproportionation ! Flux pairs: C2H4N(21), C2H5N(23); HCO(32), CO(30); ! Estimated using template [N3_rad;HCO] for rate rule [N3s_rad/H/OneDe;HCO] ! Euclidian distance = 3.0 ! family: CO_Disproportionation HCO(32)+C2H4N(21)=CO(30)+C2H5N(23) 7.100000e+12 0.000 0.000 ! Reaction index: Chemkin #330; RMG #2751 ! Template reaction: CO_Disproportionation ! Estimated using template [N3d_rad;HCO] for rate rule [N3d_rad/C;HCO] ! Euclidian distance = 1.0 ! family: CO_Disproportionation HCO(32)+C2H3N(165)=CO(30)+C2H4N(21) 7.100000e+12 0.000 0.000 ! Reaction index: Chemkin #331; RMG #2753 ! Template reaction: CO_Disproportionation ! Flux pairs: C2H3N(165), CH3CHN(22); HCO(32), CO(30); ! Estimated using template [C_pri_rad;HCO] for rate rule [C_rad/H2/Cd;HCO] ! Euclidian distance = 1.0 ! family: CO_Disproportionation HCO(32)+C2H3N(165)=CO(30)+CH3CHN(22) 2.073644e+13 0.000 0.000 ! Reaction index: Chemkin #332; RMG #2762 ! Template reaction: CO_Disproportionation ! Flux pairs: CH3CHN(22), C2H5N(20); HCO(32), CO(30); ! Estimated using template [N3d_rad;HCO] for rate rule [N3d_rad/C;HCO] ! Euclidian distance = 1.0 ! family: CO_Disproportionation HCO(32)+CH3CHN(22)=CO(30)+C2H5N(20) 7.100000e+12 0.000 0.000 ! Reaction index: Chemkin #333; RMG #2763 ! Template reaction: CO_Disproportionation ! Estimated using template [C_pri_rad;HCO] for rate rule [C_rad/H2/Cd;HCO] ! Euclidian distance = 1.0 ! family: CO_Disproportionation HCO(32)+C2H4N(21)=CO(30)+C2H5N(20) 2.073644e+13 0.000 0.000 ! Reaction index: Chemkin #334; RMG #503 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: H2CN(68), H(5); H2CN(68), HCN(28); H2CN(68)=H(5)+HCN(28) 1.000e+00 0.000 0.000 PLOG/ 0.100000 1.300e+29 -6.030 29.896 / PLOG/ 1.000000 6.000e+31 -6.460 32.111 / PLOG/ 10.000000 3.500e+29 -5.460 32.549 / ! Reaction index: Chemkin #335; RMG #505 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: H2CN(68), HCN(28); HO2(10), H2O2(11); HO2(10)+H2CN(68)=H2O2(11)+HCN(28) 1.400000e+04 2.690 -1.609 ! Reaction index: Chemkin #336; RMG #506 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: H2CN(68), CH2NH(25); HO2(10), O2(2); HO2(10)+H2CN(68)=O2(2)+CH2NH(25) 1.400000e+04 2.690 -1.609 ! Reaction index: Chemkin #337; RMG #508 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: H2CN(68), HCN(28); CH3(15), CH4(16); H2CN(68)+CH3(15)=HCN(28)+CH4(16) 8.100000e+05 1.870 -1.112 ! Reaction index: Chemkin #338; RMG #509 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: H2CN(68), HCN(28); OH(3), H2O(8); OH(3)+H2CN(68)=H2O(8)+HCN(28) 1.000e+00 0.000 0.000 PLOG/ 0.100000 2.100e+17 -1.680 0.318 / PLOG/ 1.000000 1.500e+19 -2.180 2.166 / PLOG/ 10.000000 9.500e+21 -2.910 5.633 / ! Reaction index: Chemkin #339; RMG #511 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: H2CN(68), HCN(28); H(5), H2(7); H(5)+H2CN(68)=H2(7)+HCN(28) 2.400000e+08 1.500 -0.894 ! Reaction index: Chemkin #340; RMG #513 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: H2CN(68), HCN(28); O(6), OH(3); O(6)+H2CN(68)=OH(3)+HCN(28) 1.700000e+08 1.500 -0.894 ! Reaction index: Chemkin #341; RMG #517 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: HCNH(69), H2CN(68); H(5), H(5); H(5)+HCNH(69)=H(5)+H2CN(68) 2.000000e+13 0.000 0.000 ! Reaction index: Chemkin #342; RMG #525 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: CH2NH(25), H2CN(68); H(5), H2(7); H(5)+CH2NH(25)=H2(7)+H2CN(68) 2.400000e+08 1.500 7.318 ! Reaction index: Chemkin #343; RMG #526 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: CH2NH(25), H2CN(68); O(6), OH(3); O(6)+CH2NH(25)=OH(3)+H2CN(68) 1.700000e+08 1.500 4.627 ! Reaction index: Chemkin #344; RMG #527 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: CH2NH(25), H2CN(68); OH(3), H2O(8); OH(3)+CH2NH(25)=H2O(8)+H2CN(68) 1.200000e+06 2.000 -0.089 ! Reaction index: Chemkin #345; RMG #528 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: CH2NH(25), H2CN(68); CH3(15), CH4(16); CH3(15)+CH2NH(25)=H2CN(68)+CH4(16) 8.200000e+05 1.870 7.119 ! Reaction index: Chemkin #346; RMG #1104 ! Template reaction: H_Abstraction ! Flux pairs: H2O2(11), HO2(10); H2CN(68), CH2NH(25); ! Estimated using template [O_sec;N3_rad] for rate rule [H2O2;N3d_rad/OneDe] ! Euclidian distance = 2.8284271247461903 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction H2O2(11)+H2CN(68)=HO2(10)+CH2NH(25) 1.840000e+06 1.940 2.487 ! Reaction index: Chemkin #347; RMG #1136 ! Template reaction: Disproportionation ! Estimated using template [N3_rad;N3s/H2_s_Rrad] for rate rule [N3d_rad/C;N3s/H2_s_Cssrad] ! Euclidian distance = 2.8284271247461903 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation H2CN(68)+CH2NH2(26)=CH2NH(25)+CH2NH(25) 1.819890e+06 1.940 -1.150 ! Reaction index: Chemkin #348; RMG #3266 ! PDep reaction: PDepNetwork #93 ! Flux pairs: H(5), CH2NH(25); H2CN(68), CH2NH(25); H(5)+H2CN(68)(+M)=CH2NH(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.333e+01 3.384e-01 -3.930e-02 1.975e-03 / CHEB/ -7.005e-01 3.259e-01 -1.882e-03 -3.564e-03 / CHEB/ -4.132e-01 1.005e-01 1.162e-02 -5.110e-04 / CHEB/ -2.023e-01 2.557e-02 4.955e-03 5.832e-04 / CHEB/ -9.062e-02 6.477e-03 1.171e-03 2.528e-04 / CHEB/ -3.600e-02 3.856e-04 2.055e-04 5.263e-05 / ! Reaction index: Chemkin #349; RMG #1183 ! Template reaction: H_Abstraction ! Flux pairs: C2H6N(13), NCC(1); CH2NH(25), H2CN(68); ! Estimated using template [N3d/H/NonDeC;Cs_rad] for rate rule [N3d/H/NonDeC;C_rad/H/NonDeCN] ! Euclidian distance = 2.0 ! family: H_Abstraction CH2NH(25)+C2H6N(13)=H2CN(68)+NCC(1) 8.200000e+05 1.870 13.433 ! Reaction index: Chemkin #350; RMG #1258 ! Template reaction: Disproportionation ! Estimated using template [N3d_rad/C;XH_s_Rrad] for rate rule [N3d_rad/C;Cpri_Rrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation H2CN(68)+C2H6N(12)=CH2NH(25)+C2H5N(23) 2.800000e+04 2.690 -1.610 ! Reaction index: Chemkin #351; RMG #1259 ! Template reaction: Disproportionation ! Estimated using template [N3d_rad/C;XH_s_Rrad] for rate rule [N3d_rad/C;Cmethyl_Csrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation H2CN(68)+C2H6N(13)=CH2NH(25)+C2H5N(23) 4.200000e+04 2.690 -1.610 ! Reaction index: Chemkin #352; RMG #1326 ! Template reaction: H_Abstraction ! Flux pairs: C2H6N(12), NCC(1); CH2NH(25), H2CN(68); ! Estimated using template [N3d/H/NonDeC;Cs_rad] for rate rule [N3d/H/NonDeC;C_rad/H2/Cs] ! Euclidian distance = 2.0 ! family: H_Abstraction CH2NH(25)+C2H6N(12)=H2CN(68)+NCC(1) 8.200000e+05 1.870 13.433 ! Reaction index: Chemkin #353; RMG #1445 ! Template reaction: H_Abstraction ! Flux pairs: C2H6N(14), NCC(1); CH2NH(25), H2CN(68); ! Estimated using template [N3d/H/NonDeC;N3s_rad] for rate rule [N3d/H/NonDeC;N3s_rad_pri] ! Euclidian distance = 1.0 ! family: H_Abstraction CH2NH(25)+C2H6N(14)=H2CN(68)+NCC(1) 9.200000e+05 1.940 4.440 ! Reaction index: Chemkin #354; RMG #1666 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(20), C2H4N(21); H2CN(68), CH2NH(25); ! Estimated using average of templates [Cs_H;N3d_rad/OneDe] + [C/H3/OneDe;N3_rad] for rate rule [C/H3/OneDe;N3d_rad/OneDe] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction H2CN(68)+C2H5N(20)=CH2NH(25)+C2H4N(21) 2.473334e+13 0.000 8.052 ! Reaction index: Chemkin #355; RMG #1670 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(23), C2H4N(21); H2CN(68), CH2NH(25); ! Estimated using template [N3s_pri_H;N3d_rad] for rate rule [N3s/H2/OneDe;N3d_rad/OneDe] ! Euclidian distance = 1.4142135623730951 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction H2CN(68)+C2H5N(23)=CH2NH(25)+C2H4N(21) 3.220000e+01 3.160 30.488 ! Reaction index: Chemkin #356; RMG #1846 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(20), CH3CHN(22); H2CN(68), CH2NH(25); ! Estimated using template [N3d/H/NonDeC;N3_rad] for rate rule [N3d/H/NonDeC;N3d_rad/OneDe] ! Euclidian distance = 2.0 ! family: H_Abstraction H2CN(68)+C2H5N(20)=CH2NH(25)+CH3CHN(22) 9.200000e+05 1.940 4.440 ! Reaction index: Chemkin #357; RMG #1918 ! Template reaction: Disproportionation ! Estimated using template [O2b;Cds/H2_d_Rrad] for rate rule [O2b;Cds/H2_d_N3rad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation O2(2)+H2CN(68)=HO2(10)+HCN(28) 1.040000e+16 -1.260 3.310 ! Reaction index: Chemkin #358; RMG #1922 ! Template reaction: Disproportionation ! Estimated using template [Y_rad;Cds/H2_d_N3rad] for rate rule [C_rad/H/NonDeN;Cds/H2_d_N3rad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation H2CN(68)+C2H6N(13)=HCN(28)+NCC(1) 1.620000e+06 1.870 -1.110 ! Reaction index: Chemkin #359; RMG #1924 ! Template reaction: Disproportionation ! Estimated using template [Y_rad;Cds/H2_d_N3rad] for rate rule [C_rad/H2/Cs;Cds/H2_d_N3rad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation H2CN(68)+C2H6N(12)=HCN(28)+NCC(1) 1.620000e+06 1.870 -1.110 ! Reaction index: Chemkin #360; RMG #1926 ! Template reaction: Disproportionation ! Estimated using template [N3s_rad;Cds/H2_d_N3rad] for rate rule [N3s_rad/H/NonDeC;Cds/H2_d_N3rad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation H2CN(68)+C2H6N(14)=HCN(28)+NCC(1) 1.840000e+06 1.940 -1.150 ! Reaction index: Chemkin #361; RMG #1944 ! Template reaction: Disproportionation ! From training reaction 114 used for Y_rad;Cds/H2_d_N3rad ! Exact match found for rate rule [Y_rad;Cds/H2_d_N3rad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation H2CN(68)+HCNH(69)=HCN(28)+CH2NH(25) 1.620000e+06 1.870 -1.110 DUPLICATE ! Reaction index: Chemkin #362; RMG #1945 ! Template reaction: Disproportionation ! Estimated using template [N3d_rad;N3d/H_d_Rrad] for rate rule [N3d_rad/C;N3d/H_d_Crad] ! Euclidian distance = 1.4142135623730951 ! family: Disproportionation H2CN(68)+HCNH(69)=HCN(28)+CH2NH(25) 1.200000e+06 2.000 -1.190 DUPLICATE ! Reaction index: Chemkin #363; RMG #1946 ! Template reaction: Disproportionation ! Estimated using template [N3_rad;Cds/H2_d_N3rad] for rate rule [N3d_rad/C;Cds/H2_d_N3rad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation H2CN(68)+H2CN(68)=HCN(28)+CH2NH(25) 1.840000e+06 1.940 -1.150 ! Reaction index: Chemkin #364; RMG #1961 ! Template reaction: Disproportionation ! Estimated using template [N3s_rad;Cds/H2_d_N3rad] for rate rule [N3s_rad/H/OneDe;Cds/H2_d_N3rad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation H2CN(68)+C2H4N(21)=HCN(28)+C2H5N(23) 1.840000e+06 1.940 -1.150 ! Reaction index: Chemkin #365; RMG #1979 ! Template reaction: Disproportionation ! Estimated using template [Y_rad;Cds/H2_d_N3rad] for rate rule [CO_pri_rad;Cds/H2_d_N3rad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation HCO(32)+H2CN(68)=HCN(28)+CH2O(36) 1.620000e+06 1.870 -1.110 ! Reaction index: Chemkin #366; RMG #1987 ! Template reaction: Disproportionation ! Estimated using template [N3_rad;Cds/H2_d_N3rad] for rate rule [N3d_rad/C;Cds/H2_d_N3rad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation H2CN(68)+C2H3N(165)=HCN(28)+C2H4N(21) 1.840000e+06 1.940 -1.150 ! Reaction index: Chemkin #367; RMG #1994 ! Template reaction: Disproportionation ! Estimated using template [Y_rad;Cds/H2_d_N3rad] for rate rule [C_rad/H2/Cd;Cds/H2_d_N3rad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation H2CN(68)+C2H3N(165)=HCN(28)+CH3CHN(22) 1.620000e+06 1.870 -1.110 ! Reaction index: Chemkin #368; RMG #2060 ! Template reaction: Disproportionation ! Estimated using template [N3d_rad/C;XH_s_Rrad] for rate rule [N3d_rad/C;Cdpri_Nrad] ! Euclidian distance = 2.0 ! family: Disproportionation H2CN(68)+C2H4N(21)=CH2NH(25)+CH2CNH(27) 1.400000e+04 2.690 -1.610 ! Reaction index: Chemkin #369; RMG #2247 ! Template reaction: H_Abstraction ! Flux pairs: C2H4N(21), C2H3N(165); H2CN(68), CH2NH(25); ! Estimated using average of templates [N3_H;N3d_rad/OneDe] + [N3d/H/NonDe;N3_rad] for rate rule [N3d/H/NonDe;N3d_rad/OneDe] ! Euclidian distance = 2.0 ! family: H_Abstraction H2CN(68)+C2H4N(21)=CH2NH(25)+C2H3N(165) 1.794956e+05 2.210 4.027 ! Reaction index: Chemkin #370; RMG #2248 ! Template reaction: H_Abstraction ! Flux pairs: CH3CHN(22), C2H3N(165); H2CN(68), CH2NH(25); ! Estimated using average of templates [Cs_H;N3d_rad/OneDe] + [C/H3/OneDe;N3_rad] for rate rule [C/H3/OneDe;N3d_rad/OneDe] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction H2CN(68)+CH3CHN(22)=CH2NH(25)+C2H3N(165) 2.473334e+13 0.000 8.052 ! Reaction index: Chemkin #371; RMG #2457 ! Template reaction: H_Abstraction ! Flux pairs: HCNH(69), CH2NH(25); CH2NH(25), H2CN(68); ! From training reaction 670 used for N3d/H/NonDeC;Y_rad ! Exact match found for rate rule [N3d/H/NonDeC;Y_rad] ! Euclidian distance = 0 ! family: H_Abstraction HCNH(69)+CH2NH(25)=H2CN(68)+CH2NH(25) 1.200000e+06 2.000 -0.090 ! Reaction index: Chemkin #372; RMG #2545 ! PDep reaction: PDepNetwork #70 ! Flux pairs: HCNH(69), H2CN(68); HCNH(69)(+M)=H2CN(68)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ -3.619e+00 4.711e-01 -5.295e-02 2.519e-03 / CHEB/ 1.160e+01 3.642e-01 1.444e-02 -5.301e-03 / CHEB/ -3.560e-01 7.865e-02 1.698e-02 4.816e-04 / CHEB/ -1.736e-01 6.254e-03 4.132e-03 8.645e-04 / CHEB/ -7.183e-02 -2.889e-03 4.571e-05 1.448e-04 / CHEB/ -2.670e-02 -2.024e-03 -2.650e-04 -3.143e-05 / ! Reaction index: Chemkin #373; RMG #2593 ! Template reaction: Disproportionation ! Estimated using template [N3_rad;N3s/H2_s_Rrad] for rate rule [N3d_rad/C;N3s/H2_s_Cssrad] ! Euclidian distance = 2.8284271247461903 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation H2CN(68)+C2H6N(13)=CH2NH(25)+C2H5N(20) 1.819890e+06 1.940 -1.150 ! Reaction index: Chemkin #374; RMG #2594 ! Template reaction: Disproportionation ! Estimated using template [N3d_rad/C;XH_s_Rrad] for rate rule [N3d_rad/C;C/H2/Nd_Nrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation H2CN(68)+C2H6N(14)=CH2NH(25)+C2H5N(20) 2.800000e+04 2.690 -1.610 ! Reaction index: Chemkin #375; RMG #2661 ! Template reaction: Disproportionation ! Estimated using template [Y_rad;Cds/H2_d_N3rad] for rate rule [C_rad/H2/Cd;Cds/H2_d_N3rad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation H2CN(68)+C2H4N(21)=HCN(28)+C2H5N(20) 1.620000e+06 1.870 -1.110 ! Reaction index: Chemkin #376; RMG #2663 ! Template reaction: Disproportionation ! Estimated using template [N3_rad;Cds/H2_d_N3rad] for rate rule [N3d_rad/C;Cds/H2_d_N3rad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation H2CN(68)+CH3CHN(22)=HCN(28)+C2H5N(20) 1.840000e+06 1.940 -1.150 ! Reaction index: Chemkin #377; RMG #2736 ! Template reaction: CO_Disproportionation ! Flux pairs: H2CN(68), CH2NH(25); HCO(32), CO(30); ! Estimated using template [N3d_rad;HCO] for rate rule [N3d_rad/C;HCO] ! Euclidian distance = 1.0 ! family: CO_Disproportionation HCO(32)+H2CN(68)=CO(30)+CH2NH(25) 7.100000e+12 0.000 0.000 ! Reaction index: Chemkin #378; RMG #3041 ! Template reaction: H_Abstraction ! Flux pairs: CH2O(36), HCO(32); H2CN(68), CH2NH(25); ! Estimated using template [X_H;N3d_rad/OneDe] for rate rule [CO_pri;N3d_rad/OneDe] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction CH2O(36)+H2CN(68)=HCO(32)+CH2NH(25) 1.186031e+07 1.827 6.480 ! Reaction index: Chemkin #379; RMG #3211 ! Template reaction: Disproportionation ! Flux pairs: H2CN(68), HCN(28); HCNH(69), CH2NH(25); ! From training reaction 114 used for Y_rad;Cds/H2_d_N3rad ! Exact match found for rate rule [Y_rad;Cds/H2_d_N3rad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation H2CN(68)+HCNH(69)=HCN(28)+CH2NH(25) 1.620000e+06 1.870 -1.110 DUPLICATE ! Reaction index: Chemkin #380; RMG #3212 ! Template reaction: Disproportionation ! Flux pairs: HCNH(69), HCN(28); H2CN(68), CH2NH(25); ! Estimated using template [N3d_rad;N3d/H_d_Rrad] for rate rule [N3d_rad/C;N3d/H_d_Crad] ! Euclidian distance = 1.4142135623730951 ! family: Disproportionation H2CN(68)+HCNH(69)=HCN(28)+CH2NH(25) 1.200000e+06 2.000 -1.190 DUPLICATE ! Reaction index: Chemkin #381; RMG #3250 ! PDep reaction: PDepNetwork #30 ! Flux pairs: C2H5N(23), C2H5N(20); C2H5N(23)(+M)=C2H5N(20)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ -1.800e+01 -1.173e-02 -1.785e-02 7.353e-03 / CHEB/ 2.530e+01 4.021e-01 -6.436e-02 -3.302e-03 / CHEB/ -3.652e-01 3.066e-01 6.695e-03 -3.798e-03 / CHEB/ -4.006e-01 9.941e-02 1.497e-02 3.947e-03 / CHEB/ -2.368e-01 5.464e-03 6.081e-04 1.437e-03 / CHEB/ -1.035e-01 -8.325e-03 -2.124e-03 -1.370e-03 / ! Reaction index: Chemkin #382; RMG #3251 ! PDep reaction: PDepNetwork #30 ! Flux pairs: C2H5N(23), H(5); C2H5N(23), CH3CHN(22); C2H5N(23)(+M)=H(5)+CH3CHN(22)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ -2.238e+01 -6.224e-01 -7.232e-02 3.951e-03 / CHEB/ 2.839e+01 9.524e-01 -1.443e-02 -4.109e-03 / CHEB/ -4.492e-01 3.557e-01 2.215e-02 7.821e-04 / CHEB/ -4.655e-01 6.217e-02 1.289e-02 -1.722e-03 / CHEB/ -2.306e-01 -9.718e-03 5.210e-03 -1.442e-04 / CHEB/ -8.069e-02 -1.407e-02 9.253e-04 5.865e-04 / ! Reaction index: Chemkin #383; RMG #3252 ! PDep reaction: PDepNetwork #30 ! Flux pairs: C2H5N(23), HCNH(69); C2H5N(23), CH3(15); C2H5N(23)(+M)=HCNH(69)+CH3(15)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ -2.220e+01 -5.851e-01 -8.918e-02 3.016e-03 / CHEB/ 2.959e+01 8.759e-01 -1.104e-02 -5.751e-04 / CHEB/ -4.749e-01 3.248e-01 1.896e-02 -2.344e-03 / CHEB/ -4.016e-01 6.533e-02 1.412e-02 -1.613e-03 / CHEB/ -2.074e-01 -6.733e-03 5.454e-03 2.623e-04 / CHEB/ -7.736e-02 -1.315e-02 7.616e-04 4.580e-04 / ! Reaction index: Chemkin #384; RMG #3278 ! PDep reaction: PDepNetwork #30 ! Flux pairs: C2H5N(23), H(5); C2H5N(23), C2H4N(164); C2H5N(23)(+M)=H(5)+C2H4N(164)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ -3.007e+01 7.033e-01 -8.326e-02 -7.608e-03 / CHEB/ 3.317e+01 2.755e-01 6.760e-02 1.931e-03 / CHEB/ -7.121e-01 3.980e-02 1.782e-02 3.951e-03 / CHEB/ -3.282e-01 -1.062e-02 -8.113e-05 1.426e-03 / CHEB/ -1.343e-01 -9.744e-03 -2.884e-03 -1.070e-04 / CHEB/ -4.069e-02 -5.223e-03 -1.949e-03 -3.210e-04 / ! Reaction index: Chemkin #385; RMG #209 ! Library reaction: FFCM1(-) ! Flux pairs: C2H2(39), CO(30); OH(3), CH3(15); OH(3)+C2H2(39)=CO(30)+CH3(15) 6.140000e+05 1.620 -0.731 ! Reaction index: Chemkin #386; RMG #761 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: C2H2(39), CH2O(36); HO2(10), HCO(32); HO2(10)+C2H2(39)=HCO(32)+CH2O(36) 3.000000e+12 0.000 10.000 ! Reaction index: Chemkin #387; RMG #763 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: C2H2(39), HCO(32); O2(2), HCO(32); O2(2)+C2H2(39)=HCO(32)+HCO(32) 7.000000e+07 1.800 30.600 ! Reaction index: Chemkin #388; RMG #3368 ! PDep reaction: PDepNetwork #101 ! Flux pairs: NH3(17), C2H5N(23); C2H2(39), C2H5N(23); NH3(17)+C2H2(39)(+M)=C2H5N(23)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ -2.777e+00 7.347e-02 -6.505e-03 2.657e-04 / CHEB/ 1.038e+01 1.372e-01 -1.153e-02 3.916e-04 / CHEB/ 9.389e-02 1.113e-01 -7.794e-03 6.903e-05 / CHEB/ -4.820e-02 7.735e-02 -3.410e-03 -2.277e-04 / CHEB/ -7.692e-02 4.436e-02 2.493e-05 -3.388e-04 / CHEB/ -5.945e-02 1.893e-02 1.722e-03 -2.487e-04 / ! Reaction index: Chemkin #389; RMG #1785 ! PDep reaction: PDepNetwork #51 ! Flux pairs: C2H4N(21), C2H2(39); H(5), NH3(17); H(5)+C2H4N(21)(+M)=NH3(17)+C2H2(39)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.194e+01 -6.932e-01 -2.457e-02 2.972e-03 / CHEB/ 7.016e-01 4.696e-01 -1.615e-02 -1.028e-03 / CHEB/ -9.423e-02 2.306e-01 1.598e-02 -4.554e-03 / CHEB/ -1.581e-01 5.578e-02 1.859e-02 -2.000e-03 / CHEB/ -9.825e-02 -2.401e-02 6.781e-03 1.270e-03 / CHEB/ -6.311e-02 -4.092e-02 -1.169e-03 2.210e-03 / ! Reaction index: Chemkin #390; RMG #101 ! Library reaction: FFCM1(-) ! Flux pairs: CH2(S)(41), CO(30); O(6), H(5); O(6), H(5); O(6)+CH2(S)(41)=H(5)+H(5)+CO(30) 3.000000e+13 0.000 0.000 ! Reaction index: Chemkin #391; RMG #102 ! Library reaction: FFCM1(-) ! Flux pairs: CH2(S)(41), CH2O(36); OH(3), H(5); OH(3)+CH2(S)(41)=H(5)+CH2O(36) 3.000000e+13 0.000 0.000 ! Reaction index: Chemkin #392; RMG #103 ! Library reaction: FFCM1(-) ! Flux pairs: CH2(S)(41), CH3(15); H2(7), H(5); H2(7)+CH2(S)(41)=H(5)+CH3(15) 8.291000e+13 0.000 0.000 ! Reaction index: Chemkin #393; RMG #107 ! Library reaction: FFCM1(-) ! Flux pairs: CH2(S)(41), CH2O(36); H2O(8), H2(7); H2O(8)+CH2(S)(41)=H2(7)+CH2O(36) 6.670000e+21 -3.134 3.300 ! Reaction index: Chemkin #394; RMG #121 ! Library reaction: FFCM1(-) ! Flux pairs: CH2O(36), HCO(32); CH2(S)(41), CH3(15); CH2(S)(41)+CH2O(36)=HCO(32)+CH3(15) 1.330000e+13 0.000 -0.550 ! Reaction index: Chemkin #395; RMG #129 ! Library reaction: FFCM1(-) ! Flux pairs: CH3(15), CH2(S)(41); OH(3), H2O(8); OH(3)+CH3(15)=H2O(8)+CH2(S)(41) 7.810000e+15 -0.910 0.546 ! Reaction index: Chemkin #396; RMG #138 ! Library reaction: FFCM1(-) ! Flux pairs: CH3(15), C2H4(24); CH2(S)(41), H(5); CH2(S)(41)+CH3(15)=H(5)+C2H4(24) 1.400000e+13 0.000 -0.497 ! Reaction index: Chemkin #397; RMG #169 ! Library reaction: FFCM1(-) ! Flux pairs: CH4(16), CH3(15); CH2(S)(41), CH3(15); CH2(S)(41)+CH4(16)=CH3(15)+CH3(15) 1.867000e+13 0.000 -0.497 ! Reaction index: Chemkin #398; RMG #5663 ! PDep reaction: PDepNetwork #105 ! Flux pairs: CH2(S)(41), CH3(15); HO2(10), O2(2); HO2(10)+CH2(S)(41)(+M)=O2(2)+CH3(15)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.209e+01 -7.145e-05 -3.427e-05 -1.191e-05 / CHEB/ 1.792e-01 6.868e-05 3.294e-05 1.145e-05 / CHEB/ 4.087e-02 -2.099e-06 -1.006e-06 -3.488e-07 / CHEB/ 1.205e-02 -2.595e-06 -1.245e-06 -4.328e-07 / CHEB/ 3.847e-03 -2.959e-06 -1.419e-06 -4.933e-07 / CHEB/ 1.297e-03 4.642e-08 2.216e-08 7.637e-09 / ! Reaction index: Chemkin #399; RMG #3434 ! PDep reaction: PDepNetwork #103 ! Flux pairs: H2(7), CH4(16); CH2(S)(41), CH4(16); H2(7)+CH2(S)(41)(+M)=CH4(16)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 9.487e+00 9.930e-01 -3.323e-03 -1.132e-03 / CHEB/ -3.260e-01 4.152e-03 1.965e-03 6.650e-04 / CHEB/ -1.848e-01 8.306e-04 3.961e-04 1.361e-04 / CHEB/ -9.560e-02 2.394e-04 1.142e-04 3.926e-05 / CHEB/ -4.496e-02 2.748e-05 1.338e-05 4.786e-06 / CHEB/ -2.070e-02 -3.823e-05 -1.776e-05 -5.783e-06 / ! Reaction index: Chemkin #400; RMG #3445 ! PDep reaction: PDepNetwork #121 ! Flux pairs: CH2(S)(41), CH3CHN(22); H2CN(68), CH3CHN(22); CH2(S)(41)+H2CN(68)(+M)=CH3CHN(22)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.094e+01 8.828e-01 -4.627e-02 -1.056e-02 / CHEB/ -5.857e-01 8.542e-02 3.176e-02 6.067e-03 / CHEB/ -3.756e-01 2.362e-02 1.002e-02 2.643e-03 / CHEB/ -1.958e-01 4.066e-03 2.055e-03 7.431e-04 / CHEB/ -8.776e-02 -2.058e-03 -5.712e-04 2.392e-05 / CHEB/ -3.365e-02 -3.107e-03 -1.052e-03 -1.356e-04 / ! Reaction index: Chemkin #401; RMG #4974 ! PDep reaction: PDepNetwork #116 ! Flux pairs: HCN(28), CH2CNH(27); CH2(S)(41), CH2CNH(27); HCN(28)+CH2(S)(41)(+M)=CH2CNH(27)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.109e+01 9.734e-01 -1.229e-02 -3.971e-03 / CHEB/ -1.245e+00 1.951e-02 8.899e-03 2.790e-03 / CHEB/ -5.319e-01 4.467e-03 2.099e-03 7.004e-04 / CHEB/ -1.957e-01 -3.679e-04 -1.314e-04 -1.649e-05 / CHEB/ -6.083e-02 -5.522e-04 -2.543e-04 -8.116e-05 / CHEB/ -7.598e-03 -6.114e-04 -2.861e-04 -9.457e-05 / ! Reaction index: Chemkin #402; RMG #3446 ! PDep reaction: PDepNetwork #121 ! Flux pairs: H2CN(68), C2H3N(165); CH2(S)(41), H(5); CH2(S)(41)+H2CN(68)(+M)=H(5)+C2H3N(165)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.214e+01 -9.824e-02 -3.909e-02 -9.091e-03 / CHEB/ 1.779e-01 8.849e-02 3.385e-02 7.053e-03 / CHEB/ 1.906e-02 1.666e-02 7.554e-03 2.282e-03 / CHEB/ 6.492e-03 -2.078e-03 -4.383e-04 1.492e-04 / CHEB/ -2.410e-04 -4.359e-03 -1.674e-03 -3.408e-04 / CHEB/ -2.141e-03 -3.218e-03 -1.242e-03 -2.678e-04 / ! Reaction index: Chemkin #403; RMG #3439 ! PDep reaction: PDepNetwork #113 ! Flux pairs: CH2NH(25), C2H4N(21); CH2(S)(41), H(5); CH2(S)(41)+CH2NH(25)(+M)=H(5)+C2H4N(21)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.159e+01 -2.146e-01 -6.505e-02 -6.963e-03 / CHEB/ 1.280e-01 2.244e-01 6.094e-02 2.959e-03 / CHEB/ 2.910e-02 1.768e-02 1.293e-02 4.801e-03 / CHEB/ 1.276e-02 -1.851e-02 -4.120e-03 6.751e-04 / CHEB/ 4.136e-03 -8.302e-03 -3.876e-03 -9.514e-04 / CHEB/ 3.942e-03 -2.405e-03 -1.458e-03 -5.882e-04 / ! Reaction index: Chemkin #404; RMG #3437 ! PDep reaction: PDepNetwork #113 ! Flux pairs: CH2NH(25), CH3CHN(22); CH2(S)(41), H(5); CH2(S)(41)+CH2NH(25)(+M)=H(5)+CH3CHN(22)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.135e+01 -2.144e-01 -6.501e-02 -6.954e-03 / CHEB/ 2.190e-01 2.245e-01 6.098e-02 2.971e-03 / CHEB/ 2.915e-02 1.759e-02 1.291e-02 4.802e-03 / CHEB/ 7.515e-03 -1.861e-02 -4.161e-03 6.668e-04 / CHEB/ 6.077e-03 -8.331e-03 -3.897e-03 -9.606e-04 / CHEB/ -6.754e-04 -2.429e-03 -1.471e-03 -5.930e-04 / ! Reaction index: Chemkin #405; RMG #3438 ! PDep reaction: PDepNetwork #113 ! Flux pairs: CH2NH(25), HCNH(69); CH2(S)(41), CH3(15); CH2(S)(41)+CH2NH(25)(+M)=HCNH(69)+CH3(15)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.166e+01 -2.191e-01 -6.635e-02 -7.077e-03 / CHEB/ 6.943e-01 2.241e-01 6.035e-02 2.660e-03 / CHEB/ 6.149e-02 2.073e-02 1.388e-02 4.879e-03 / CHEB/ -6.215e-03 -1.645e-02 -3.235e-03 8.968e-04 / CHEB/ -1.321e-02 -7.929e-03 -3.607e-03 -8.233e-04 / CHEB/ -6.631e-03 -2.812e-03 -1.561e-03 -5.742e-04 / ! Reaction index: Chemkin #406; RMG #3436 ! PDep reaction: PDepNetwork #113 ! Flux pairs: CH2(S)(41), C2H5N(20); CH2NH(25), C2H5N(20); CH2(S)(41)+CH2NH(25)(+M)=C2H5N(20)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.118e+01 7.555e-01 -7.317e-02 -7.408e-03 / CHEB/ -9.092e-01 2.233e-01 5.705e-02 9.252e-04 / CHEB/ -5.293e-01 3.518e-02 1.809e-02 4.982e-03 / CHEB/ -2.623e-01 -6.545e-03 8.909e-04 1.824e-03 / CHEB/ -1.207e-01 -5.453e-03 -2.094e-03 -1.968e-04 / CHEB/ -4.427e-02 -3.994e-03 -1.709e-03 -4.114e-04 / ! Reaction index: Chemkin #407; RMG #3442 ! PDep reaction: PDepNetwork #114 ! Flux pairs: CH2(S)(41), C2H6(47); CH4(16), C2H6(47); CH2(S)(41)+CH4(16)(+M)=C2H6(47)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.208e+01 4.731e-01 -7.360e-02 5.550e-03 / CHEB/ -8.078e-01 3.864e-01 1.595e-02 -1.226e-02 / CHEB/ -4.827e-01 1.103e-01 3.175e-02 -1.642e-03 / CHEB/ -2.546e-01 1.553e-02 1.368e-02 2.887e-03 / CHEB/ -1.226e-01 -6.659e-03 2.168e-03 1.952e-03 / CHEB/ -5.440e-02 -6.834e-03 -1.241e-03 5.279e-04 / ! Reaction index: Chemkin #408; RMG #3263 ! PDep reaction: PDepNetwork #30 ! Flux pairs: C2H5N(23), CH2(S)(41); C2H5N(23), CH2NH(25); C2H5N(23)(+M)=CH2(S)(41)+CH2NH(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ -3.088e+01 7.203e-01 -8.205e-02 -8.693e-03 / CHEB/ 3.414e+01 2.486e-01 6.238e-02 1.899e-03 / CHEB/ -7.682e-01 3.290e-02 1.624e-02 4.012e-03 / CHEB/ -3.519e-01 -1.415e-03 2.189e-03 1.475e-03 / CHEB/ -1.394e-01 -5.617e-03 -1.579e-03 1.049e-04 / CHEB/ -3.879e-02 -5.526e-03 -1.876e-03 -2.137e-04 / ! Reaction index: Chemkin #409; RMG #83 ! Library reaction: FFCM1(-) ! Flux pairs: CH2(T)(35), CO(30); O(6), H(5); O(6), H(5); O(6)+CH2(T)(35)=H(5)+H(5)+CO(30) 8.000000e+13 0.000 0.000 ! Reaction index: Chemkin #410; RMG #84 ! Library reaction: FFCM1(-) ! Flux pairs: CH2(T)(35), CH2O(36); OH(3), H(5); OH(3)+CH2(T)(35)=H(5)+CH2O(36) 2.899000e+13 0.120 -0.162 ! Reaction index: Chemkin #411; RMG #86 ! Library reaction: FFCM1(-) ! Flux pairs: CH2(T)(35), CH2O(36); HO2(10), OH(3); HO2(10)+CH2(T)(35)=OH(3)+CH2O(36) 2.000000e+13 0.000 0.000 ! Reaction index: Chemkin #412; RMG #87 ! Library reaction: FFCM1(-) ! Flux pairs: CH2(T)(35), CH3(15); H2(7), H(5); H2(7)+CH2(T)(35)=H(5)+CH3(15) 1.265000e+06 2.000 7.230 ! Reaction index: Chemkin #413; RMG #88 ! Library reaction: FFCM1(-) ! Flux pairs: CH2(T)(35), CO(30); O2(2), H(5); O2(2), OH(3); O2(2)+CH2(T)(35)=H(5)+OH(3)+CO(30) 2.643000e+12 0.000 1.000 ! Reaction index: Chemkin #414; RMG #90 ! Library reaction: FFCM1(-) ! Flux pairs: CH2(T)(35), CH2O(36); O2(2), O(6); O2(2)+CH2(T)(35)=O(6)+CH2O(36) 1.600000e+12 0.000 1.000 ! Reaction index: Chemkin #415; RMG #92 ! Library reaction: FFCM1(-) ! Flux pairs: CH2(T)(35), CO(30); O2(2), H2O(8); O2(2)+CH2(T)(35)=H2O(8)+CO(30) 5.200000e+11 0.000 1.000 ! Reaction index: Chemkin #416; RMG #95 ! Library reaction: FFCM1(-) ! Flux pairs: CH2(T)(35), C2H2(39); CH2(T)(35), H(5); CH2(T)(35), H(5); CH2(T)(35)+CH2(T)(35)=H(5)+H(5)+C2H2(39) 2.000000e+14 0.000 10.989 ! Reaction index: Chemkin #417; RMG #98 ! Library reaction: FFCM1(-) ! Flux pairs: CH2(S)(41), CH2(T)(35); Ar, Ar; Ar+CH2(S)(41)=Ar+CH2(T)(35) 9.000000e+12 0.000 0.600 ! Reaction index: Chemkin #418; RMG #99 ! Library reaction: FFCM1(-) ! Flux pairs: CH2(S)(41), CH2(T)(35); He(9), He(9); He(9)+CH2(S)(41)=He(9)+CH2(T)(35) 6.620000e+12 0.000 0.755 ! Reaction index: Chemkin #419; RMG #104 ! Library reaction: FFCM1(-) ! Flux pairs: CH2(S)(41), CH2(T)(35); O2(2), O2(2); O2(2)+CH2(S)(41)=O2(2)+CH2(T)(35) 3.130000e+13 0.000 0.000 ! Reaction index: Chemkin #420; RMG #106 ! Library reaction: FFCM1(-) ! Flux pairs: CH2(S)(41), CH2(T)(35); H2O(8), H2O(8); H2O(8)+CH2(S)(41)=H2O(8)+CH2(T)(35) 1.510000e+13 0.000 -0.431 ! Reaction index: Chemkin #421; RMG #109 ! Library reaction: FFCM1(-) ! Flux pairs: CO(30), CO(30); CH2(S)(41), CH2(T)(35); CO(30)+CH2(S)(41)=CO(30)+CH2(T)(35) 9.000000e+12 0.000 0.000 ! Reaction index: Chemkin #422; RMG #120 ! Library reaction: FFCM1(-) ! Flux pairs: CH2O(36), HCO(32); CH2(T)(35), CH3(15); CH2(T)(35)+CH2O(36)=HCO(32)+CH3(15) 7.400000e-02 4.210 1.120 ! Reaction index: Chemkin #423; RMG #128 ! Library reaction: FFCM1(-) ! Flux pairs: CH3(15), CH2(T)(35); OH(3), H2O(8); OH(3)+CH3(15)=H2O(8)+CH2(T)(35) 4.464000e+04 2.570 3.998 ! Reaction index: Chemkin #424; RMG #137 ! Library reaction: FFCM1(-) ! Flux pairs: CH3(15), C2H4(24); CH2(T)(35), H(5); CH2(T)(35)+CH3(15)=H(5)+C2H4(24) 9.824000e+13 0.000 0.000 ! Reaction index: Chemkin #425; RMG #168 ! Library reaction: FFCM1(-) ! Flux pairs: CH4(16), CH3(15); CH2(T)(35), CH3(15); CH2(T)(35)+CH4(16)=CH3(15)+CH3(15) 2.483000e+06 2.000 8.270 ! Reaction index: Chemkin #426; RMG #206 ! Library reaction: FFCM1(-) ! Flux pairs: C2H2(39), CO(30); O(6), CH2(T)(35); O(6)+C2H2(39)=CO(30)+CH2(T)(35) 2.304000e+08 1.400 2.206 ! Reaction index: Chemkin #427; RMG #269 ! Library reaction: FFCM1(-) ! Flux pairs: C2H4(24), CH2O(36); O(6), CH2(T)(35); O(6)+C2H4(24)=CH2(T)(35)+CH2O(36) 1.400000e+04 2.620 0.459 ! Reaction index: Chemkin #428; RMG #732 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: CH2(T)(35), CO(30); O(6), H2(7); O(6)+CH2(T)(35)=H2(7)+CO(30) 3.000000e+13 0.000 0.000 ! Reaction index: Chemkin #429; RMG #734 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: CH2(S)(41), CH2(T)(35); H(5), H(5); H(5)+CH2(S)(41)=H(5)+CH2(T)(35) 2.000000e+14 0.000 0.000 ! Reaction index: Chemkin #430; RMG #764 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: C2H2(39), C2H2(39); CH2(S)(41), CH2(T)(35); CH2(S)(41)+C2H2(39)=CH2(T)(35)+C2H2(39) 4.000000e+13 0.000 0.000 ! Reaction index: Chemkin #431; RMG #989 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: CH2(S)(41), CH2(T)(35); CH2(S)(41)+M=CH2(T)(35)+M 1.000e+13 0.000 0.000 O2(2)/0.00/ H(5)/0.00/ H2O(8)/0.00/ N2(42)/0.00/ Ar/0.00/ ! Reaction index: Chemkin #432; RMG #1023 ! Template reaction: H_Abstraction ! Flux pairs: OH(3), O(6); CH2(T)(35), CH3(15); ! Estimated using template [Xrad_H;Y_1centerbirad] for rate rule [OH_rad_H;CH2_triplet] ! Euclidian distance = 1.4142135623730951 ! family: H_Abstraction OH(3)+CH2(T)(35)=O(6)+CH3(15) 9.713360e+05 1.974 3.557 ! Reaction index: Chemkin #433; RMG #1024 ! Template reaction: H_Abstraction ! Flux pairs: H2O2(11), HO2(10); CH2(T)(35), CH3(15); ! Estimated using template [O/H/NonDeO;Y_1centerbirad] for rate rule [H2O2;CH2_triplet] ! Euclidian distance = 1.4142135623730951 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction H2O2(11)+CH2(T)(35)=HO2(10)+CH3(15) 1.740000e+13 0.000 4.750 ! Reaction index: Chemkin #434; RMG #1026 ! Template reaction: H_Abstraction ! Flux pairs: HO2(10), O2(2); CH2(T)(35), CH3(15); ! Estimated using average of templates [X_H;CH2_triplet] + [Orad_O_H;Y_rad_birad_trirad_quadrad] for rate rule [Orad_O_H;CH2_triplet] ! Euclidian distance = 2.0 ! family: H_Abstraction HO2(10)+CH2(T)(35)=O2(2)+CH3(15) 1.298078e+08 0.805 1.370 ! Reaction index: Chemkin #435; RMG #3534 ! PDep reaction: PDepNetwork #124 ! Flux pairs: H(5), CH3(15); CH2(T)(35), CH3(15); H(5)+CH2(T)(35)(+M)=CH3(15)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.306e+01 5.960e-01 -3.622e-02 -3.244e-03 / CHEB/ -8.209e-01 2.459e-01 1.134e-02 2.919e-04 / CHEB/ -3.153e-01 3.031e-02 6.057e-03 9.270e-04 / CHEB/ -1.298e-01 5.909e-03 1.396e-03 1.512e-04 / CHEB/ -5.735e-02 2.137e-03 4.766e-04 1.931e-05 / CHEB/ -2.424e-02 5.707e-04 1.070e-04 9.684e-06 / ! Reaction index: Chemkin #436; RMG #1116 ! Template reaction: Disproportionation ! Flux pairs: CH2(T)(35), CH3(15); CH2NH2(26), CH2NH(25); ! Estimated using template [Y_1centerbirad;N3s/H2_s_Cssrad] for rate rule [CH2_triplet;N3s/H2_s_Cssrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation CH2(T)(35)+CH2NH2(26)=CH3(15)+CH2NH(25) 6.600000e+08 1.500 -0.890 ! Reaction index: Chemkin #437; RMG #1166 ! Template reaction: H_Abstraction ! Flux pairs: NCC(1), C2H6N(13); CH2(T)(35), CH3(15); ! Estimated using template [C_sec;CH2_triplet] for rate rule [C/H2/NonDeN;CH2_triplet] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction CH2(T)(35)+NCC(1)=CH3(15)+C2H6N(13) 1.510000e+00 3.460 7.470 ! Reaction index: Chemkin #438; RMG #1237 ! Template reaction: Disproportionation ! Flux pairs: CH2(T)(35), CH3(15); C2H6N(12), C2H5N(23); ! Estimated using an average for rate rule [CH2_triplet;Cpri_Rrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation CH2(T)(35)+C2H6N(12)=CH3(15)+C2H5N(23) 3.620000e+12 0.000 0.000 ! Reaction index: Chemkin #439; RMG #1238 ! Template reaction: Disproportionation ! From training reaction 3 used for CH2_triplet;Cmethyl_Csrad ! Exact match found for rate rule [CH2_triplet;Cmethyl_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation CH2(T)(35)+C2H6N(13)=CH3(15)+C2H5N(23) 9.030000e+13 0.000 0.000 ! Reaction index: Chemkin #440; RMG #1308 ! Template reaction: H_Abstraction ! Flux pairs: NCC(1), C2H6N(12); CH2(T)(35), CH3(15); ! Estimated using template [C/H3/Cs;Y_1centerbirad] for rate rule [C/H3/Cs;CH2_triplet] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction CH2(T)(35)+NCC(1)=CH3(15)+C2H6N(12) 1.024527e+09 1.436 10.759 ! Reaction index: Chemkin #441; RMG #3535 ! PDep reaction: PDepNetwork #129 ! Flux pairs: CH2(T)(35), C2H6N(12); CH2NH2(26), C2H6N(12); CH2(T)(35)+CH2NH2(26)(+M)=C2H6N(12)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.041e+01 9.960e-01 -1.846e-03 -6.148e-04 / CHEB/ -4.284e-01 3.083e-03 1.514e-03 5.419e-04 / CHEB/ -3.985e-03 -6.927e-04 -3.463e-04 -1.239e-04 / CHEB/ 7.137e-02 -6.532e-05 -8.757e-05 -5.576e-05 / CHEB/ 3.775e-02 1.330e-04 2.756e-05 -8.468e-06 / CHEB/ -3.773e-03 7.058e-05 4.482e-05 1.782e-05 / ! Reaction index: Chemkin #442; RMG #3539 ! PDep reaction: PDepNetwork #129 ! Flux pairs: CH2NH2(26), CH2NH(25); CH2(T)(35), CH3(15); CH2(T)(35)+CH2NH2(26)(+M)=CH3(15)+CH2NH(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.088e+01 -1.355e-02 -5.693e-03 -1.578e-03 / CHEB/ -2.321e-01 -3.831e-03 -9.517e-04 1.218e-04 / CHEB/ -4.724e-01 1.456e-03 2.640e-04 -7.698e-05 / CHEB/ -1.266e-01 3.823e-03 7.016e-04 -2.709e-04 / CHEB/ -8.055e-02 3.327e-03 9.351e-04 -5.231e-06 / CHEB/ -5.413e-02 2.097e-04 4.253e-04 2.501e-04 / ! Reaction index: Chemkin #443; RMG #3537 ! PDep reaction: PDepNetwork #129 ! Flux pairs: CH2(T)(35), C2H6N(13); CH2NH2(26), C2H6N(13); CH2(T)(35)+CH2NH2(26)(+M)=C2H6N(13)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 8.921e+00 9.313e-01 -2.780e-02 -6.921e-03 / CHEB/ 1.751e+00 -5.033e-02 -1.937e-02 -4.193e-03 / CHEB/ -7.316e-01 4.863e-02 1.841e-02 3.851e-03 / CHEB/ -2.886e-01 6.170e-02 2.186e-02 3.653e-03 / CHEB/ -2.393e-02 9.582e-03 2.540e-03 -1.040e-04 / CHEB/ 4.930e-02 -2.891e-02 -9.628e-03 -1.246e-03 / ! Reaction index: Chemkin #444; RMG #1427 ! Template reaction: H_Abstraction ! Flux pairs: NCC(1), C2H6N(14); CH2(T)(35), CH3(15); ! Estimated using template [N3s/H2/NonDeC;Y_1centerbirad] for rate rule [N3s/H2/NonDeC;CH2_triplet] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction CH2(T)(35)+NCC(1)=CH3(15)+C2H6N(14) 6.600000e+08 1.500 20.353 ! Reaction index: Chemkin #445; RMG #3536 ! PDep reaction: PDepNetwork #129 ! Flux pairs: CH2(T)(35), C2H6N(14); CH2NH2(26), C2H6N(14); CH2(T)(35)+CH2NH2(26)(+M)=C2H6N(14)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 9.320e+00 9.861e-01 -5.807e-03 -1.599e-03 / CHEB/ 8.367e-02 -4.282e-03 -1.113e-03 9.273e-05 / CHEB/ -2.460e-01 1.239e-03 1.643e-04 -1.044e-04 / CHEB/ 5.203e-02 3.772e-03 6.455e-04 -2.996e-04 / CHEB/ 3.365e-02 3.367e-03 9.231e-04 -2.259e-05 / CHEB/ -7.432e-04 2.661e-04 4.466e-04 2.509e-04 / ! Reaction index: Chemkin #446; RMG #1626 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(20), C2H4N(21); CH2(T)(35), CH3(15); ! Estimated using template [C/H3/OneDe;Y_1centerbirad] for rate rule [C/H3/OneDe;CH2_triplet] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction CH2(T)(35)+C2H5N(20)=CH3(15)+C2H4N(21) 7.880000e-03 4.293 11.251 ! Reaction index: Chemkin #447; RMG #1630 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(23), C2H4N(21); CH2(T)(35), CH3(15); ! Estimated using template [N3s/H2/OneDe;Y_1centerbirad] for rate rule [N3s/H2/OneDe;CH2_triplet] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction CH2(T)(35)+C2H5N(23)=CH3(15)+C2H4N(21) 6.600000e+08 1.500 9.583 ! Reaction index: Chemkin #448; RMG #3565 ! PDep reaction: PDepNetwork #137 ! Flux pairs: CH2(T)(35), C2H4N(21); HCNH(69), C2H4N(21); CH2(T)(35)+HCNH(69)(+M)=C2H4N(21)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.168e+01 9.158e-01 -3.526e-02 -9.214e-03 / CHEB/ -5.270e-01 5.346e-02 2.149e-02 5.065e-03 / CHEB/ -3.015e-01 1.183e-02 5.535e-03 1.778e-03 / CHEB/ -1.206e-01 1.364e-03 7.755e-04 3.342e-04 / CHEB/ -4.389e-02 3.422e-03 1.237e-03 2.073e-04 / CHEB/ 8.703e-03 -6.155e-04 -2.545e-04 -6.781e-05 / ! Reaction index: Chemkin #449; RMG #1826 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(20), CH3CHN(22); CH2(T)(35), CH3(15); ! Estimated using template [N3d/H/NonDeC;Y_1centerbirad] for rate rule [N3d/H/NonDeC;CH2_triplet] ! Euclidian distance = 1.0 ! family: H_Abstraction CH2(T)(35)+C2H5N(20)=CH3(15)+CH3CHN(22) 1.700000e+08 1.500 20.543 ! Reaction index: Chemkin #450; RMG #1928 ! Template reaction: Disproportionation ! Flux pairs: CH2(T)(35), CH3(15); HCNH(69), HCN(28); ! Estimated using template [Y_1centerbirad;N3d/H_d_Crad] for rate rule [CH2_triplet;N3d/H_d_Crad] ! Euclidian distance = 1.0 ! family: Disproportionation CH2(T)(35)+HCNH(69)=HCN(28)+CH3(15) 1.700000e+08 1.500 -0.890 ! Reaction index: Chemkin #451; RMG #1929 ! Template reaction: Disproportionation ! Estimated using template [Y_1centerbirad;Cds/H2_d_N3rad] for rate rule [CH2_triplet;Cds/H2_d_N3rad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation CH2(T)(35)+H2CN(68)=HCN(28)+CH3(15) 3.400000e+08 1.500 -0.890 ! Reaction index: Chemkin #452; RMG #2036 ! Template reaction: Disproportionation ! Estimated using template [CH2_triplet;XH_s_Rrad] for rate rule [CH2_triplet;Cdpri_Nrad] ! Euclidian distance = 2.0 ! family: Disproportionation CH2(T)(35)+C2H4N(21)=CH3(15)+CH2CNH(27) 4.039648e+12 0.000 0.000 ! Reaction index: Chemkin #453; RMG #3554 ! PDep reaction: PDepNetwork #136 ! Flux pairs: HCN(28), CH2CNH(27); CH2(T)(35), CH2CNH(27); HCN(28)+CH2(T)(35)(+M)=CH2CNH(27)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 7.141e+00 9.264e-01 -3.173e-02 -8.844e-03 / CHEB/ -1.316e+00 3.066e-02 1.318e-02 3.627e-03 / CHEB/ -1.013e+00 1.763e-02 7.293e-03 1.847e-03 / CHEB/ -3.454e-01 2.968e-03 1.314e-03 3.919e-04 / CHEB/ -1.133e-01 -1.387e-03 -4.882e-04 -7.008e-05 / CHEB/ -2.756e-02 -2.394e-03 -9.304e-04 -1.996e-04 / ! Reaction index: Chemkin #454; RMG #2217 ! Template reaction: H_Abstraction ! Flux pairs: C2H4N(21), C2H3N(165); CH2(T)(35), CH3(15); ! Estimated using template [N3d/H/NonDe;Y_1centerbirad] for rate rule [N3d/H/NonDe;CH2_triplet] ! Euclidian distance = 1.0 ! family: H_Abstraction CH2(T)(35)+C2H4N(21)=CH3(15)+C2H3N(165) 4.326387e+08 1.442 6.144 ! Reaction index: Chemkin #455; RMG #2218 ! Template reaction: H_Abstraction ! Flux pairs: CH3CHN(22), C2H3N(165); CH2(T)(35), CH3(15); ! Estimated using template [C/H3/OneDe;Y_1centerbirad] for rate rule [C/H3/OneDe;CH2_triplet] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction CH2(T)(35)+CH3CHN(22)=CH3(15)+C2H3N(165) 7.880000e-03 4.293 11.251 ! Reaction index: Chemkin #456; RMG #3553 ! PDep reaction: PDepNetwork #136 ! Flux pairs: HCN(28), C2H3N(165); CH2(T)(35), C2H3N(165); HCN(28)+CH2(T)(35)(+M)=C2H3N(165)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 6.585e+00 9.409e-01 -2.527e-02 -6.889e-03 / CHEB/ -9.717e-01 3.126e-02 1.323e-02 3.501e-03 / CHEB/ -8.754e-01 1.599e-02 6.564e-03 1.627e-03 / CHEB/ -3.431e-01 2.497e-03 1.133e-03 3.560e-04 / CHEB/ -1.238e-01 -9.747e-04 -3.112e-04 -1.924e-05 / CHEB/ -2.347e-02 -2.016e-03 -7.948e-04 -1.772e-04 / ! Reaction index: Chemkin #457; RMG #3567 ! PDep reaction: PDepNetwork #137 ! Flux pairs: HCNH(69), C2H3N(165); CH2(T)(35), H(5); CH2(T)(35)+HCNH(69)(+M)=H(5)+C2H3N(165)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.276e+01 -6.955e-02 -2.932e-02 -7.782e-03 / CHEB/ 2.869e-01 5.937e-02 2.428e-02 5.980e-03 / CHEB/ 2.066e-04 1.131e-02 5.353e-03 1.764e-03 / CHEB/ -2.015e-02 -1.456e-03 -4.064e-04 2.892e-05 / CHEB/ -2.400e-02 9.768e-04 2.358e-04 -4.096e-05 / CHEB/ 2.779e-03 -1.285e-03 -5.656e-04 -1.675e-04 / ! Reaction index: Chemkin #458; RMG #2437 ! Template reaction: H_Abstraction ! Flux pairs: CH2NH(25), HCNH(69); CH2(T)(35), CH3(15); ! Estimated using template [Cd/H2/NonDeN;Y_1centerbirad] for rate rule [Cd/H2/NonDeN;CH2_triplet] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction CH2(T)(35)+CH2NH(25)=HCNH(69)+CH3(15) 4.400000e+08 1.500 25.960 ! Reaction index: Chemkin #459; RMG #2576 ! Template reaction: Disproportionation ! Flux pairs: CH2(T)(35), CH3(15); C2H6N(13), C2H5N(20); ! Estimated using template [Y_1centerbirad;N3s/H2_s_Cssrad] for rate rule [CH2_triplet;N3s/H2_s_Cssrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation CH2(T)(35)+C2H6N(13)=CH3(15)+C2H5N(20) 6.600000e+08 1.500 -0.890 ! Reaction index: Chemkin #460; RMG #2577 ! Template reaction: Disproportionation ! Estimated using template [CH2_triplet;C/H2/Nd_Rrad] for rate rule [CH2_triplet;C/H2/Nd_Nrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation CH2(T)(35)+C2H6N(14)=CH3(15)+C2H5N(20) 3.620000e+12 0.000 0.000 ! Reaction index: Chemkin #461; RMG #3538 ! PDep reaction: PDepNetwork #129 ! Flux pairs: CH2NH2(26), C2H5N(20); CH2(T)(35), H(5); CH2(T)(35)+CH2NH2(26)(+M)=H(5)+C2H5N(20)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.047e+01 -5.035e-02 -2.007e-02 -4.788e-03 / CHEB/ -2.007e+00 -3.686e-02 -1.401e-02 -2.902e-03 / CHEB/ -1.021e+00 3.654e-02 1.332e-02 2.417e-03 / CHEB/ -5.060e-01 5.269e-02 1.883e-02 3.197e-03 / CHEB/ -2.205e-01 1.178e-02 4.039e-03 6.093e-04 / CHEB/ -3.810e-02 -2.500e-02 -8.268e-03 -9.918e-04 / ! Reaction index: Chemkin #462; RMG #2731 ! Template reaction: CO_Disproportionation ! Flux pairs: CH2(T)(35), CH3(15); HCO(32), CO(30); ! Estimated using template [Y_1centerbirad;HCO] for rate rule [CH2_triplet;HCO] ! Euclidian distance = 1.0 ! family: CO_Disproportionation HCO(32)+CH2(T)(35)=CO(30)+CH3(15) 3.010000e+13 0.000 0.000 ! Reaction index: Chemkin #463; RMG #3566 ! PDep reaction: PDepNetwork #137 ! Flux pairs: CH2(T)(35), C2H4N(164); HCNH(69), C2H4N(164); CH2(T)(35)+HCNH(69)(+M)=C2H4N(164)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.034e+01 9.131e-01 -3.650e-02 -9.621e-03 / CHEB/ 4.257e-02 4.948e-02 1.978e-02 4.588e-03 / CHEB/ -1.323e-01 8.659e-03 4.157e-03 1.386e-03 / CHEB/ -8.394e-02 -6.964e-04 -1.136e-04 8.378e-05 / CHEB/ -8.457e-02 2.365e-03 7.929e-04 8.912e-05 / CHEB/ -5.608e-02 -1.017e-03 -4.145e-04 -1.049e-04 / ! Reaction index: Chemkin #464; RMG #3142 ! Template reaction: H_Abstraction ! Flux pairs: CH2NH(25), H2CN(68); CH2(T)(35), CH3(15); ! Estimated using template [N3d/H/NonDeC;Y_1centerbirad] for rate rule [N3d/H/NonDeC;CH2_triplet] ! Euclidian distance = 1.0 ! family: H_Abstraction CH2(T)(35)+CH2NH(25)=H2CN(68)+CH3(15) 1.700000e+08 1.500 20.543 ! Reaction index: Chemkin #465; RMG #3258 ! PDep reaction: PDepNetwork #30 ! Flux pairs: C2H5N(23), CH2(T)(35); C2H5N(23), CH2NH(25); C2H5N(23)(+M)=CH2(T)(35)+CH2NH(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ -3.122e+01 7.326e-01 -8.156e-02 -9.644e-03 / CHEB/ 3.105e+01 2.293e-01 6.095e-02 2.951e-03 / CHEB/ -1.417e+00 3.955e-02 1.726e-02 4.071e-03 / CHEB/ -5.650e-01 -3.340e-03 1.207e-03 1.240e-03 / CHEB/ -2.161e-01 -6.040e-03 -1.804e-03 -7.398e-05 / CHEB/ -6.974e-02 -4.841e-03 -1.621e-03 -2.015e-04 / ! Reaction index: Chemkin #466; RMG #71 ! Library reaction: FFCM1(-) ! Flux pairs: CH(34), CO(30); O(6), H(5); O(6)+CH(34)=H(5)+CO(30) 5.700000e+13 0.000 0.000 ! Reaction index: Chemkin #467; RMG #72 ! Library reaction: FFCM1(-) ! Flux pairs: CH(34), HCO(32); OH(3), H(5); OH(3)+CH(34)=H(5)+HCO(32) 3.000000e+13 0.000 0.000 ! Reaction index: Chemkin #468; RMG #73 ! Library reaction: FFCM1(-) ! Flux pairs: CH(34), CH2(T)(35); H2(7), H(5); H2(7)+CH(34)=H(5)+CH2(T)(35) 1.612000e+14 0.000 3.320 ! Reaction index: Chemkin #469; RMG #74 ! Library reaction: FFCM1(-) ! Flux pairs: H2(7), CH3(15); CH(34), CH3(15); H2(7)+CH(34)(+M)=CH3(15)(+M) 5.130e+13 0.150 0.000 CH4(16)/2.00/ CH2O(36)/2.50/ C2H6(47)/3.00/ He(9)/0.70/ CO(30)/1.50/ Ar/0.71/ H2O(8)/6.00/ CO2(31)/2.00/ LOW/ 2.430e+22 -1.600 0.000 / TROE/ 5.140e-01 152 2.28e+04 1.04e+04 / ! Reaction index: Chemkin #470; RMG #75 ! Library reaction: FFCM1(-) ! Flux pairs: CH(34), CH2O(36); H2O(8), H(5); H2O(8)+CH(34)=H(5)+CH2O(36) 3.430000e+12 0.000 -0.884 ! Reaction index: Chemkin #471; RMG #76 ! Library reaction: FFCM1(-) ! Flux pairs: CH(34), HCO(32); O2(2), O(6); O2(2)+CH(34)=O(6)+HCO(32) 1.840000e+08 1.430 1.200 ! Reaction index: Chemkin #472; RMG #78 ! Library reaction: FFCM1(-) ! Flux pairs: CH(34), CO(30); O2(2), OH(3); O2(2)+CH(34)=OH(3)+CO(30) 1.840000e+08 1.430 1.200 ! Reaction index: Chemkin #473; RMG #79 ! Library reaction: FFCM1(-) ! Flux pairs: CH(34), CO(30); O2(2), H(5); O2(2), O(6); O2(2)+CH(34)=O(6)+H(5)+CO(30) 2.789000e+08 1.430 1.200 ! Reaction index: Chemkin #474; RMG #85 ! Library reaction: FFCM1(-) ! Flux pairs: CH2(T)(35), CH(34); OH(3), H2O(8); OH(3)+CH2(T)(35)=H2O(8)+CH(34) 8.630000e+05 2.020 6.776 ! Reaction index: Chemkin #475; RMG #94 ! Library reaction: FFCM1(-) ! Flux pairs: CH2(T)(35), C2H2(39); CH(34), H(5); CH(34)+CH2(T)(35)=H(5)+C2H2(39) 4.000000e+13 0.000 0.000 ! Reaction index: Chemkin #476; RMG #100 ! Library reaction: FFCM1(-) ! Flux pairs: CH2(S)(41), CH(34); H(5), H2(7); H(5)+CH2(S)(41)=H2(7)+CH(34) 3.000000e+13 0.000 0.000 ! Reaction index: Chemkin #477; RMG #167 ! Library reaction: FFCM1(-) ! Flux pairs: CH4(16), C2H4(24); CH(34), H(5); CH(34)+CH4(16)=H(5)+C2H4(24) 3.000000e+13 0.000 -0.397 ! Reaction index: Chemkin #478; RMG #287 ! Library reaction: FFCM1(-) ! Flux pairs: C2H6(47), C2H4(24); CH(34), CH3(15); CH(34)+C2H6(47)=CH3(15)+C2H4(24) 1.077000e+14 0.000 -0.262 ! Reaction index: Chemkin #479; RMG #730 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: CH2(T)(35), H(5); CH2(T)(35), CH(34); CH2(T)(35)+M=H(5)+CH(34)+M 5.600e+15 0.000 89.000 ! Reaction index: Chemkin #480; RMG #3377 ! Template reaction: H_Abstraction ! Flux pairs: O(6), OH(3); CH2(S)(41), CH(34); ! Estimated using template [Xbirad_H;O_atom_triplet] for rate rule [CH2_singlet_H;O_atom_triplet] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction O(6)+CH2(S)(41)=OH(3)+CH(34) 3.400000e+08 1.500 52.074 ! Reaction index: Chemkin #481; RMG #3378 ! Template reaction: H_Abstraction ! Flux pairs: H2O2(11), HO2(10); CH(34), CH2(S)(41); ! Estimated using template [H2O2;Y_rad_birad_trirad_quadrad] for rate rule [H2O2;CH_doublet] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction H2O2(11)+CH(34)=HO2(10)+CH2(S)(41) 1.412291e+01 3.268 10.312 ! Reaction index: Chemkin #482; RMG #3380 ! Template reaction: H_Abstraction ! Flux pairs: HO2(10), O2(2); CH(34), CH2(S)(41); ! Estimated using template [Orad_O_H;Y_rad_birad_trirad_quadrad] for rate rule [Orad_O_H;CH_doublet] ! Euclidian distance = 2.0 ! family: H_Abstraction HO2(10)+CH(34)=O2(2)+CH2(S)(41) 4.949747e+10 0.000 -1.637 ! Reaction index: Chemkin #483; RMG #3381 ! Template reaction: H_Abstraction ! Flux pairs: OH(3), H2O(8); CH2(S)(41), CH(34); ! Estimated using template [Xbirad_H;O_pri_rad] for rate rule [CH2_singlet_H;O_pri_rad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction OH(3)+CH2(S)(41)=H2O(8)+CH(34) 2.400000e+06 2.000 -0.490 ! Reaction index: Chemkin #484; RMG #3382 ! Template reaction: H_Abstraction ! Flux pairs: CH3(15), CH4(16); CH2(S)(41), CH(34); ! Estimated using template [Xbirad_H;C_methyl] for rate rule [CH2_singlet_H;C_methyl] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction CH2(S)(41)+CH3(15)=CH(34)+CH4(16) 1.640000e+06 1.870 44.964 ! Reaction index: Chemkin #485; RMG #3390 ! Template reaction: Disproportionation ! Flux pairs: CH(34), CH2(S)(41); CH2NH2(26), CH2NH(25); ! Estimated using template [Y_rad_birad_trirad_quadrad;N3s/H2_s_Cssrad] for rate rule [CH_doublet;N3s/H2_s_Cssrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation CH(34)+CH2NH2(26)=CH2(S)(41)+CH2NH(25) 4.595650e+07 1.685 -0.760 ! Reaction index: Chemkin #486; RMG #3392 ! Template reaction: H_Abstraction ! Flux pairs: NCC(1), C2H6N(13); CH(34), CH2(S)(41); ! Estimated using template [C/H2/NonDeN;Y_rad_birad_trirad_quadrad] for rate rule [C/H2/NonDeN;CH_doublet] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction CH(34)+NCC(1)=CH2(S)(41)+C2H6N(13) 1.391449e+11 0.560 3.237 ! Reaction index: Chemkin #487; RMG #3393 ! Template reaction: Disproportionation ! Flux pairs: CH(34), CH2(S)(41); C2H6N(12), C2H5N(23); ! Estimated using template [Y_rad_birad_trirad_quadrad;Cpri_Rrad] for rate rule [CH_doublet;Cpri_Rrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation CH(34)+C2H6N(12)=CH2(S)(41)+C2H5N(23) 4.844746e+11 0.081 2.192 ! Reaction index: Chemkin #488; RMG #3394 ! Template reaction: Disproportionation ! Estimated using template [Y_rad_birad_trirad_quadrad;Cmethyl_Csrad] for rate rule [CH_doublet;Cmethyl_Csrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation CH(34)+C2H6N(13)=CH2(S)(41)+C2H5N(23) 3.903211e+13 -0.170 7.499 ! Reaction index: Chemkin #489; RMG #3395 ! Template reaction: H_Abstraction ! Flux pairs: C2H6N(12), NCC(1); CH2(S)(41), CH(34); ! Estimated using template [X_H_or_Xrad_H_Xbirad_H_Xtrirad_H;C_rad/H2/Cs] for rate rule [CH2_singlet_H;C_rad/H2/Cs] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction CH2(S)(41)+C2H6N(12)=CH(34)+NCC(1) 1.494635e+00 3.393 4.385 ! Reaction index: Chemkin #490; RMG #3396 ! Template reaction: H_Abstraction ! Flux pairs: C2H6N(14), NCC(1); CH2(S)(41), CH(34); ! Estimated using template [Xbirad_H;N3s_rad] for rate rule [CH2_singlet_H;N3s_rad_pri] ! Euclidian distance = 1.4142135623730951 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction CH2(S)(41)+C2H6N(14)=CH(34)+NCC(1) 1.840000e+06 1.940 24.191 ! Reaction index: Chemkin #491; RMG #3402 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(20), C2H4N(21); CH(34), CH2(S)(41); ! Estimated using template [C/H3/OneDe;Y_rad_birad_trirad_quadrad] for rate rule [C/H3/OneDe;CH_doublet] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction CH(34)+C2H5N(20)=CH2(S)(41)+C2H4N(21) 2.336384e+02 3.156 6.455 ! Reaction index: Chemkin #492; RMG #3404 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(23), C2H4N(21); CH(34), CH2(S)(41); ! Estimated using template [N3s/H2/OneDe;Y_rad_birad_trirad_quadrad] for rate rule [N3s/H2/OneDe;CH_doublet] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction CH(34)+C2H5N(23)=CH2(S)(41)+C2H4N(21) 5.699959e+07 1.750 6.893 ! Reaction index: Chemkin #493; RMG #3406 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(20), CH3CHN(22); CH(34), CH2(S)(41); ! Estimated using template [N3d/H/NonDeC;Y_rad_birad_trirad_quadrad] for rate rule [N3d/H/NonDeC;CH_doublet] ! Euclidian distance = 2.0 ! family: H_Abstraction CH(34)+C2H5N(20)=CH2(S)(41)+CH3CHN(22) 1.428286e+07 1.750 10.226 ! Reaction index: Chemkin #494; RMG #3408 ! Template reaction: Disproportionation ! Flux pairs: CH(34), CH2(S)(41); HCNH(69), HCN(28); ! Estimated using template [Y_rad_birad_trirad_quadrad;N3d/H_d_Crad] for rate rule [CH_doublet;N3d/H_d_Crad] ! Euclidian distance = 2.0 ! family: Disproportionation CH(34)+HCNH(69)=HCN(28)+CH2(S)(41) 1.180678e+07 1.685 -1.000 ! Reaction index: Chemkin #495; RMG #3409 ! Template reaction: Disproportionation ! Estimated using template [Y_rad_birad_trirad_quadrad;Cds/H2_d_N3rad] for rate rule [CH_doublet;Cds/H2_d_N3rad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation CH(34)+H2CN(68)=HCN(28)+CH2(S)(41) 2.346913e+07 1.685 -1.000 ! Reaction index: Chemkin #496; RMG #3412 ! Template reaction: Disproportionation ! Estimated using template [Y_rad_birad_trirad_quadrad;Cdpri_Rrad] for rate rule [CH_doublet;Cdpri_Nrad] ! Euclidian distance = 2.23606797749979 ! family: Disproportionation CH(34)+C2H4N(21)=CH2(S)(41)+CH2CNH(27) 1.279734e+11 0.000 6.517 ! Reaction index: Chemkin #497; RMG #3414 ! Template reaction: H_Abstraction ! Flux pairs: C2H4N(21), C2H3N(165); CH(34), CH2(S)(41); ! Estimated using template [N3d/H/NonDe;Y_rad_birad_trirad_quadrad] for rate rule [N3d/H/NonDe;CH_doublet] ! Euclidian distance = 2.0 ! family: H_Abstraction CH(34)+C2H4N(21)=CH2(S)(41)+C2H3N(165) 6.715003e+07 1.625 4.029 ! Reaction index: Chemkin #498; RMG #3415 ! Template reaction: H_Abstraction ! Flux pairs: CH3CHN(22), C2H3N(165); CH(34), CH2(S)(41); ! Estimated using template [C/H3/OneDe;Y_rad_birad_trirad_quadrad] for rate rule [C/H3/OneDe;CH_doublet] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction CH(34)+CH3CHN(22)=CH2(S)(41)+C2H3N(165) 2.336384e+02 3.156 6.455 ! Reaction index: Chemkin #499; RMG #3419 ! Template reaction: H_Abstraction ! Flux pairs: HCNH(69), CH2NH(25); CH2(S)(41), CH(34); ! Estimated using template [Xbirad_H;Y_rad] for rate rule [CH2_singlet_H;Y_rad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction CH2(S)(41)+HCNH(69)=CH(34)+CH2NH(25) 1.500523e+08 1.452 24.735 ! Reaction index: Chemkin #500; RMG #3420 ! Template reaction: Disproportionation ! Flux pairs: CH(34), CH2(S)(41); C2H6N(13), C2H5N(20); ! Estimated using template [Y_rad_birad_trirad_quadrad;N3s/H2_s_Cssrad] for rate rule [CH_doublet;N3s/H2_s_Cssrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation CH(34)+C2H6N(13)=CH2(S)(41)+C2H5N(20) 4.595650e+07 1.685 -0.760 ! Reaction index: Chemkin #501; RMG #3421 ! Template reaction: Disproportionation ! Estimated using template [Y_rad_birad_trirad_quadrad;C/H2/Nd_Rrad] for rate rule [CH_doublet;C/H2/Nd_Nrad] ! Euclidian distance = 2.23606797749979 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation CH(34)+C2H6N(14)=CH2(S)(41)+C2H5N(20) 2.331674e+12 0.083 3.699 ! Reaction index: Chemkin #502; RMG #3422 ! Template reaction: CO_Disproportionation ! Flux pairs: CH(34), CH2(S)(41); HCO(32), CO(30); ! Estimated using template [Y_rad_birad_trirad_quadrad;HCO] for rate rule [CH_doublet;HCO] ! Euclidian distance = 2.0 ! family: CO_Disproportionation CH(34)+HCO(32)=CO(30)+CH2(S)(41) 1.275865e+14 -0.183 0.694 ! Reaction index: Chemkin #503; RMG #3427 ! Template reaction: H_Abstraction ! Flux pairs: CH2O(36), HCO(32); CH(34), CH2(S)(41); ! Estimated using template [CO_pri;Y_rad_birad_trirad_quadrad] for rate rule [CO_pri;CH_doublet] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction CH(34)+CH2O(36)=HCO(32)+CH2(S)(41) 6.244855e+01 3.192 1.675 ! Reaction index: Chemkin #504; RMG #3429 ! Template reaction: H_Abstraction ! Flux pairs: CH2NH(25), H2CN(68); CH(34), CH2(S)(41); ! Estimated using template [N3d/H/NonDeC;Y_rad_birad_trirad_quadrad] for rate rule [N3d/H/NonDeC;CH_doublet] ! Euclidian distance = 2.0 ! family: H_Abstraction CH(34)+CH2NH(25)=CH2(S)(41)+H2CN(68) 1.428286e+07 1.750 10.226 ! Reaction index: Chemkin #505; RMG #3668 ! PDep reaction: PDepNetwork #142 ! Flux pairs: H(5), CH2(S)(41); CH(34), CH2(S)(41); H(5)+CH(34)(+M)=CH2(S)(41)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.182e+01 9.031e-01 -2.756e-02 -2.569e-03 / CHEB/ -9.292e-01 4.161e-02 1.807e-02 3.545e-03 / CHEB/ -2.618e-01 2.101e-02 2.517e-03 -1.390e-03 / CHEB/ -8.369e-02 5.187e-04 -7.284e-04 -1.762e-04 / CHEB/ -3.973e-02 1.018e-03 9.096e-04 2.055e-04 / CHEB/ -4.280e-03 -7.231e-03 -1.065e-03 5.200e-04 / ! Reaction index: Chemkin #506; RMG #3532 ! Template reaction: H_Abstraction ! Flux pairs: CH2(T)(35), CH3(15); CH2(S)(41), CH(34); ! Estimated using template [Xbirad_H;Y_1centerbirad] for rate rule [CH2_singlet_H;CH2_triplet] ! Euclidian distance = 1.4142135623730951 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction CH2(S)(41)+CH2(T)(35)=CH(34)+CH3(15) 3.400000e+08 1.500 52.074 ! Reaction index: Chemkin #507; RMG #54 ! Library reaction: Ethylamine ! Flux pairs: CH3CHN(22), H(5); CH3CHN(22), CH3CN(29); CH3CHN(22)=H(5)+CH3CN(29) 1.490000e+09 1.440 27.000 ! Reaction index: Chemkin #508; RMG #931 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: CH3CN(29), HCN(28); H(5), CH3(15); H(5)+CH3CN(29)=HCN(28)+CH3(15) 4.000000e+07 2.000 2.000 ! Reaction index: Chemkin #509; RMG #1797 ! Template reaction: Disproportionation ! Flux pairs: CH3CHN(22), CH3CN(29); H(5), H2(7); ! Estimated using template [H_rad;CH_d_Rrad] for rate rule [H_rad;Cds/H/NonDe_d_Rrad] ! Euclidian distance = 2.0 ! family: Disproportionation H(5)+CH3CHN(22)=H2(7)+CH3CN(29) 3.394113e+08 1.500 -0.890 ! Reaction index: Chemkin #510; RMG #1801 ! Template reaction: Disproportionation ! Flux pairs: CH3CHN(22), CH3CN(29); O(6), OH(3); ! Estimated using template [O_atom_triplet;CH_d_Rrad] for rate rule [O_atom_triplet;Cds/H/NonDe_d_Rrad] ! Euclidian distance = 2.0 ! family: Disproportionation O(6)+CH3CHN(22)=OH(3)+CH3CN(29) 1.700000e+08 1.500 -0.890 ! Reaction index: Chemkin #511; RMG #1806 ! Template reaction: Disproportionation ! Flux pairs: CH3CHN(22), CH3CN(29); HO2(10), H2O2(11); ! Estimated using template [O_rad/NonDeO;CH_d_Rrad] for rate rule [O_rad/NonDeO;Cds/H/NonDe_d_Rrad] ! Euclidian distance = 2.0 ! family: Disproportionation HO2(10)+CH3CHN(22)=H2O2(11)+CH3CN(29) 1.400000e+04 2.690 -1.610 ! Reaction index: Chemkin #512; RMG #1818 ! Template reaction: Disproportionation ! Flux pairs: CH3CHN(22), CH3CN(29); O2(2), HO2(10); ! Estimated using template [O2b;CH_d_Rrad] for rate rule [O2b;Cds/H/NonDe_d_Rrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation O2(2)+CH3CHN(22)=HO2(10)+CH3CN(29) 5.200000e+15 -1.260 3.310 ! Reaction index: Chemkin #513; RMG #1820 ! Template reaction: Disproportionation ! Flux pairs: CH3CHN(22), CH3CN(29); OH(3), H2O(8); ! Estimated using template [O_pri_rad;CH_d_Rrad] for rate rule [O_pri_rad;Cds/H/NonDe_d_Rrad] ! Euclidian distance = 2.0 ! family: Disproportionation OH(3)+CH3CHN(22)=H2O(8)+CH3CN(29) 1.697056e+06 2.000 -1.190 ! Reaction index: Chemkin #514; RMG #1824 ! Template reaction: Disproportionation ! Flux pairs: CH3CHN(22), CH3CN(29); CH3(15), CH4(16); ! Estimated using template [Y_rad;CH_d_Rrad] for rate rule [C_methyl;Cds/H/NonDe_d_Rrad] ! Euclidian distance = 2.8284271247461903 ! family: Disproportionation CH3(15)+CH3CHN(22)=CH4(16)+CH3CN(29) 4.301018e+06 1.908 -1.134 ! Reaction index: Chemkin #515; RMG #1848 ! Template reaction: Disproportionation ! Flux pairs: CH3CHN(22), CH3CN(29); C2H6N(13), NCC(1); ! Estimated using template [Y_rad;CH_d_Rrad] for rate rule [C_rad/H/NonDeN;Cds/H/NonDe_d_Rrad] ! Euclidian distance = 3.605551275463989 ! family: Disproportionation CH3CHN(22)+C2H6N(13)=CH3CN(29)+NCC(1) 4.301018e+06 1.908 -1.134 ! Reaction index: Chemkin #516; RMG #1866 ! Template reaction: Disproportionation ! Flux pairs: CH3CHN(22), CH3CN(29); C2H6N(12), NCC(1); ! Estimated using template [Y_rad;CH_d_Rrad] for rate rule [C_rad/H2/Cs;Cds/H/NonDe_d_Rrad] ! Euclidian distance = 3.605551275463989 ! family: Disproportionation CH3CHN(22)+C2H6N(12)=CH3CN(29)+NCC(1) 4.301018e+06 1.908 -1.134 ! Reaction index: Chemkin #517; RMG #1874 ! Template reaction: Disproportionation ! Flux pairs: CH3CHN(22), CH3CN(29); C2H6N(14), NCC(1); ! Estimated using template [N3s_rad;CH_d_Rrad] for rate rule [N3s_rad/H/NonDeC;Cds/H/NonDe_d_Rrad] ! Euclidian distance = 3.605551275463989 ! family: Disproportionation CH3CHN(22)+C2H6N(14)=CH3CN(29)+NCC(1) 1.286857e+06 1.940 -1.150 ! Reaction index: Chemkin #518; RMG #1890 ! Template reaction: Disproportionation ! Flux pairs: CH3CHN(22), CH3CN(29); C2H4N(21), C2H5N(20); ! Estimated using template [Y_rad;CH_d_Rrad] for rate rule [C_rad/H2/Cd;Cds/H/NonDe_d_Rrad] ! Euclidian distance = 3.605551275463989 ! family: Disproportionation C2H4N(21)+CH3CHN(22)=CH3CN(29)+C2H5N(20) 4.301018e+06 1.908 -1.134 ! Reaction index: Chemkin #519; RMG #1902 ! Template reaction: Disproportionation ! Flux pairs: CH3CHN(22), CH3CN(29); C2H4N(21), C2H5N(23); ! Estimated using template [N3s_rad;CH_d_Rrad] for rate rule [N3s_rad/H/OneDe;Cds/H/NonDe_d_Rrad] ! Euclidian distance = 2.8284271247461903 ! family: Disproportionation C2H4N(21)+CH3CHN(22)=CH3CN(29)+C2H5N(23) 1.286857e+06 1.940 -1.150 ! Reaction index: Chemkin #520; RMG #1906 ! Template reaction: Disproportionation ! Flux pairs: CH3CHN(22), CH3CN(29); CH3CHN(22), C2H5N(20); ! Estimated using template [N3_rad;CH_d_Rrad] for rate rule [N3d_rad/C;Cds/H/NonDe_d_Rrad] ! Euclidian distance = 2.8284271247461903 ! family: Disproportionation CH3CHN(22)+CH3CHN(22)=CH3CN(29)+C2H5N(20) 1.286857e+06 1.940 -1.150 ! Reaction index: Chemkin #521; RMG #2340 ! Template reaction: Disproportionation ! Flux pairs: CH3CHN(22), CH3CN(29); C2H3N(165), C2H4N(21); ! Estimated using template [N3_rad;CH_d_Rrad] for rate rule [N3d_rad/C;Cds/H/NonDe_d_Rrad] ! Euclidian distance = 2.8284271247461903 ! family: Disproportionation C2H3N(165)+CH3CHN(22)=CH3CN(29)+C2H4N(21) 1.286857e+06 1.940 -1.150 ! Reaction index: Chemkin #522; RMG #2341 ! Template reaction: Disproportionation ! Flux pairs: CH3CHN(22), CH3CN(29); C2H3N(165), CH3CHN(22); ! Estimated using template [Y_rad;CH_d_Rrad] for rate rule [C_rad/H2/Cd;Cds/H/NonDe_d_Rrad] ! Euclidian distance = 3.605551275463989 ! family: Disproportionation C2H3N(165)+CH3CHN(22)=CH3CN(29)+CH3CHN(22) 4.301018e+06 1.908 -1.134 ! Reaction index: Chemkin #523; RMG #2507 ! Template reaction: Disproportionation ! Flux pairs: CH3CHN(22), CH3CN(29); HCNH(69), CH2NH(25); ! Estimated using template [Y_rad;CH_d_Rrad] for rate rule [Y_rad;Cds/H/NonDe_d_Rrad] ! Euclidian distance = 2.0 ! family: Disproportionation HCNH(69)+CH3CHN(22)=CH2NH(25)+CH3CN(29) 4.301018e+06 1.908 -1.134 ! Reaction index: Chemkin #524; RMG #3079 ! Template reaction: Disproportionation ! Flux pairs: CH3CHN(22), CH3CN(29); HCO(32), CH2O(36); ! Estimated using template [Y_rad;CH_d_Rrad] for rate rule [CO_pri_rad;Cds/H/NonDe_d_Rrad] ! Euclidian distance = 2.8284271247461903 ! family: Disproportionation HCO(32)+CH3CHN(22)=CH2O(36)+CH3CN(29) 4.301018e+06 1.908 -1.134 ! Reaction index: Chemkin #525; RMG #3189 ! Template reaction: Disproportionation ! Flux pairs: CH3CHN(22), CH3CN(29); H2CN(68), CH2NH(25); ! Estimated using template [N3_rad;CH_d_Rrad] for rate rule [N3d_rad/C;Cds/H/NonDe_d_Rrad] ! Euclidian distance = 2.8284271247461903 ! family: Disproportionation H2CN(68)+CH3CHN(22)=CH2NH(25)+CH3CN(29) 1.286857e+06 1.940 -1.150 ! Reaction index: Chemkin #526; RMG #3491 ! Template reaction: Disproportionation ! Flux pairs: CH3CHN(22), CH3CN(29); CH2(T)(35), CH3(15); ! Estimated using template [Y_1centerbirad;CH_d_Rrad] for rate rule [CH2_triplet;Cds/H/NonDe_d_Rrad] ! Euclidian distance = 2.23606797749979 ! family: Disproportionation CH2(T)(35)+CH3CHN(22)=CH3(15)+CH3CN(29) 1.700000e+08 1.500 -0.890 ! Reaction index: Chemkin #527; RMG #3616 ! Template reaction: Disproportionation ! Flux pairs: CH3CHN(22), CH3CN(29); CH(34), CH2(S)(41); ! Estimated using template [Y_rad_birad_trirad_quadrad;CH_d_Rrad] for rate rule [CH_doublet;Cds/H/NonDe_d_Rrad] ! Euclidian distance = 2.8284271247461903 ! family: Disproportionation CH(34)+CH3CHN(22)=CH2(S)(41)+CH3CN(29) 1.123371e+10 0.719 0.427 ! Reaction index: Chemkin #528; RMG #3671 ! PDep reaction: PDepNetwork #117 ! Flux pairs: HCN(28), CH3CN(29); CH2(S)(41), CH3CN(29); HCN(28)+CH2(S)(41)(+M)=CH3CN(29)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.079e+01 6.939e-01 -8.048e-02 -4.649e-03 / CHEB/ -4.208e-01 2.625e-01 5.307e-02 -4.187e-03 / CHEB/ -3.323e-01 3.884e-02 2.055e-02 4.706e-03 / CHEB/ -1.743e-01 -2.844e-03 2.505e-03 2.121e-03 / CHEB/ -8.271e-02 -5.100e-03 -1.269e-03 2.426e-04 / CHEB/ -3.745e-02 -2.457e-03 -9.979e-04 -1.733e-04 / ! Reaction index: Chemkin #529; RMG #1214 ! Template reaction: H_Abstraction ! Flux pairs: H(5), H2(7); C2H5N(23), C2H4N(151); ! From training reaction 217 used for Cd/H2/NonDeC;H_rad ! Exact match found for rate rule [Cd/H2/NonDeC;H_rad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction H(5)+C2H5N(23)=H2(7)+C2H4N(151) 1.200000e+02 3.620 11.266 ! Reaction index: Chemkin #530; RMG #1217 ! Template reaction: H_Abstraction ! Flux pairs: O(6), OH(3); C2H5N(23), C2H4N(151); ! From training reaction 343 used for Cd/H2/NonDeC;O_atom_triplet ! Exact match found for rate rule [Cd/H2/NonDeC;O_atom_triplet] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction O(6)+C2H5N(23)=OH(3)+C2H4N(151) 7.560000e+06 1.910 27.820 ! Reaction index: Chemkin #531; RMG #1223 ! Template reaction: H_Abstraction ! Flux pairs: H2O2(11), HO2(10); C2H4N(151), C2H5N(23); ! Estimated using an average for rate rule [H2O2;Cd_pri_rad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction H2O2(11)+C2H4N(151)=HO2(10)+C2H5N(23) 2.000000e+00 3.520 -7.480 ! Reaction index: Chemkin #532; RMG #1232 ! Template reaction: H_Abstraction ! Flux pairs: O2(2), HO2(10); C2H5N(23), C2H4N(151); ! From training reaction 219 used for Cd/H2/NonDeC;O2b ! Exact match found for rate rule [Cd/H2/NonDeC;O2b] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: H_Abstraction O2(2)+C2H5N(23)=HO2(10)+C2H4N(151) 3.550000e+13 0.000 62.097 ! Reaction index: Chemkin #533; RMG #1236 ! Template reaction: H_Abstraction ! Flux pairs: OH(3), H2O(8); C2H5N(23), C2H4N(151); ! From training reaction 218 used for Cd/H2/NonDeC;O_pri_rad ! Exact match found for rate rule [Cd/H2/NonDeC;O_pri_rad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction OH(3)+C2H5N(23)=H2O(8)+C2H4N(151) 6.500000e-02 4.200 -0.860 ! Reaction index: Chemkin #534; RMG #1241 ! Template reaction: H_Abstraction ! Flux pairs: CH3(15), CH4(16); C2H5N(23), C2H4N(151); ! From training reaction 1567 used for Cd/H2/NonDeC;C_methyl ! Exact match found for rate rule [Cd/H2/NonDeC;C_methyl] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction CH3(15)+C2H5N(23)=CH4(16)+C2H4N(151) 1.716000e-02 4.340 20.710 ! Reaction index: Chemkin #535; RMG #1261 ! Template reaction: Disproportionation ! Estimated using template [Y_rad;N3s/H2_s_Cssrad] for rate rule [Cd_pri_rad;N3s/H2_s_Cssrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation CH2NH2(26)+C2H4N(151)=CH2NH(25)+C2H5N(23) 3.200000e+06 1.870 -0.630 ! Reaction index: Chemkin #536; RMG #1274 ! Template reaction: H_Abstraction ! Flux pairs: NCC(1), C2H6N(13); C2H4N(151), C2H5N(23); ! Estimated using template [C_sec;Cd_pri_rad] for rate rule [C/H2/NonDeN;Cd_pri_rad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction C2H4N(151)+NCC(1)=C2H5N(23)+C2H6N(13) 5.141206e-02 4.118 0.322 ! Reaction index: Chemkin #537; RMG #1277 ! Template reaction: Disproportionation ! Estimated using an average for rate rule [Cd_pri_rad;Cpri_Rrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H4N(151)+C2H6N(12)=C2H5N(23)+C2H5N(23) 2.420000e+12 0.000 0.000 ! Reaction index: Chemkin #538; RMG #1278 ! Template reaction: Disproportionation ! From training reaction 11 used for Cd_pri_rad;Cmethyl_Csrad ! Exact match found for rate rule [Cd_pri_rad;Cmethyl_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C2H4N(151)+C2H6N(13)=C2H5N(23)+C2H5N(23) 4.560000e+14 -0.700 0.000 ! Reaction index: Chemkin #539; RMG #4099 ! PDep reaction: PDepNetwork #153 ! Flux pairs: H(5), C2H5N(23); C2H4N(151), C2H5N(23); H(5)+C2H4N(151)(+M)=C2H5N(23)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 6.025e+00 9.973e-01 -1.246e-03 -3.900e-04 / CHEB/ 5.481e+00 -4.198e-03 -1.914e-03 -6.017e-04 / CHEB/ -1.143e-01 -1.061e-03 -4.969e-04 -1.647e-04 / CHEB/ -7.336e-01 2.217e-03 9.858e-04 2.938e-04 / CHEB/ -5.437e-01 3.905e-03 1.754e-03 5.344e-04 / CHEB/ -2.380e-01 3.236e-03 1.461e-03 4.503e-04 / ! Reaction index: Chemkin #540; RMG #1342 ! Template reaction: H_Abstraction ! Flux pairs: NCC(1), C2H6N(12); C2H4N(151), C2H5N(23); ! Estimated using an average for rate rule [C/H3/Cs;Cd_pri_rad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction C2H4N(151)+NCC(1)=C2H5N(23)+C2H6N(12) 5.400000e-04 4.550 3.500 ! Reaction index: Chemkin #541; RMG #1460 ! Template reaction: H_Abstraction ! Flux pairs: NCC(1), C2H6N(14); C2H4N(151), C2H5N(23); ! Estimated using template [N3s/H2/NonDeC;Y_rad] for rate rule [N3s/H2/NonDeC;Cd_pri_rad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction C2H4N(151)+NCC(1)=C2H5N(23)+C2H6N(14) 1.517893e+07 1.828 12.179 ! Reaction index: Chemkin #542; RMG #1703 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(20), C2H4N(21); C2H4N(151), C2H5N(23); ! Estimated using an average for rate rule [C/H3/OneDe;Cd_pri_rad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction C2H4N(151)+C2H5N(20)=C2H4N(21)+C2H5N(23) 9.552961e-03 4.340 0.300 ! Reaction index: Chemkin #543; RMG #1708 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(23), C2H4N(21); C2H4N(151), C2H5N(23); ! Estimated using template [N3s/H2/OneDe;Y_rad] for rate rule [N3s/H2/OneDe;Cd_pri_rad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction C2H4N(151)+C2H5N(23)=C2H4N(21)+C2H5N(23) 4.985154e+06 2.000 6.338 ! Reaction index: Chemkin #544; RMG #4084 ! PDep reaction: PDepNetwork #152 ! Flux pairs: C2H4N(151), C2H4N(21); C2H4N(151)(+M)=C2H4N(21)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ -7.349e+00 1.523e-01 -3.556e-02 -3.875e-04 / CHEB/ 1.585e+01 2.904e-01 -3.681e-02 -1.830e-03 / CHEB/ -1.888e-01 2.416e-01 1.349e-02 -1.590e-03 / CHEB/ -4.123e-01 1.374e-01 2.361e-02 -1.577e-04 / CHEB/ -2.249e-01 2.306e-02 4.812e-03 8.357e-04 / CHEB/ -2.519e-02 -3.152e-02 -7.135e-03 7.872e-04 / ! Reaction index: Chemkin #545; RMG #4101 ! PDep reaction: PDepNetwork #153 ! Flux pairs: C2H4N(151), C2H4N(21); H(5), H(5); H(5)+C2H4N(151)(+M)=H(5)+C2H4N(21)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 6.743e+00 -7.336e-04 -3.404e-04 -1.109e-04 / CHEB/ 6.558e+00 -1.085e-03 -5.039e-04 -1.645e-04 / CHEB/ 5.045e-01 -1.559e-04 -7.422e-05 -2.541e-05 / CHEB/ -4.408e-01 7.937e-04 3.653e-04 1.170e-04 / CHEB/ -4.380e-01 1.239e-03 5.721e-04 1.844e-04 / CHEB/ -2.370e-01 9.589e-04 4.438e-04 1.438e-04 / ! Reaction index: Chemkin #546; RMG #1865 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(20), CH3CHN(22); C2H4N(151), C2H5N(23); ! Estimated using template [N3d/H/NonDeC;Y_rad] for rate rule [N3d/H/NonDeC;Cd_pri_rad] ! Euclidian distance = 2.0 ! family: H_Abstraction C2H4N(151)+C2H5N(20)=CH3CHN(22)+C2H5N(23) 1.200000e+06 2.000 -0.090 ! Reaction index: Chemkin #547; RMG #1958 ! Template reaction: Disproportionation ! Estimated using template [Y_rad;N3d/H_d_Crad] for rate rule [Cd_pri_rad;N3d/H_d_Crad] ! Euclidian distance = 2.0 ! family: Disproportionation HCNH(69)+C2H4N(151)=HCN(28)+C2H5N(23) 8.200000e+05 1.870 -1.110 ! Reaction index: Chemkin #548; RMG #1959 ! Template reaction: Disproportionation ! Estimated using template [Y_rad;Cds/H2_d_N3rad] for rate rule [Cd_pri_rad;Cds/H2_d_N3rad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation H2CN(68)+C2H4N(151)=HCN(28)+C2H5N(23) 1.620000e+06 1.870 -1.110 ! Reaction index: Chemkin #549; RMG #2081 ! Template reaction: Disproportionation ! Estimated using template [Cd_pri_rad;Cdpri_Rrad] for rate rule [Cd_pri_rad;Cdpri_Nrad] ! Euclidian distance = 1.0 ! family: Disproportionation C2H4N(21)+C2H4N(151)=CH2CNH(27)+C2H5N(23) 2.410000e+12 0.000 6.000 ! Reaction index: Chemkin #550; RMG #2275 ! Template reaction: H_Abstraction ! Flux pairs: C2H4N(21), C2H3N(165); C2H4N(151), C2H5N(23); ! Estimated using template [N3d/H/NonDe;Y_rad] for rate rule [N3d/H/NonDe;Cd_pri_rad] ! Euclidian distance = 2.0 ! family: H_Abstraction C2H4N(21)+C2H4N(151)=C2H3N(165)+C2H5N(23) 6.250660e+06 1.844 2.669 ! Reaction index: Chemkin #551; RMG #2276 ! Template reaction: H_Abstraction ! Flux pairs: CH3CHN(22), C2H3N(165); C2H4N(151), C2H5N(23); ! Estimated using an average for rate rule [C/H3/OneDe;Cd_pri_rad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction CH3CHN(22)+C2H4N(151)=C2H3N(165)+C2H5N(23) 9.552961e-03 4.340 0.300 ! Reaction index: Chemkin #552; RMG #2412 ! PDep reaction: PDepNetwork #65 ! Flux pairs: H(5), C2H4N(151); C2H3N(165), C2H4N(151); H(5)+C2H3N(165)(+M)=C2H4N(151)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.083e+01 -4.991e-02 -1.256e-01 6.486e-03 / CHEB/ 1.165e+00 6.064e-01 4.099e-02 -1.210e-02 / CHEB/ -1.743e-01 8.549e-02 4.206e-02 2.362e-03 / CHEB/ -4.592e-01 1.660e-02 7.481e-03 2.695e-03 / CHEB/ -2.492e-01 3.242e-02 -6.469e-03 -2.868e-04 / CHEB/ -2.146e-02 1.710e-02 -6.486e-03 -1.042e-03 / ! Reaction index: Chemkin #553; RMG #2472 ! Template reaction: H_Abstraction ! Flux pairs: HCNH(69), CH2NH(25); C2H5N(23), C2H4N(151); ! From training reaction 345 used for Cd/H2/NonDeC;Y_rad ! Exact match found for rate rule [Cd/H2/NonDeC;Y_rad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction HCNH(69)+C2H5N(23)=CH2NH(25)+C2H4N(151) 1.026000e+13 0.000 26.090 ! Reaction index: Chemkin #554; RMG #2608 ! Template reaction: Disproportionation ! Estimated using template [Y_rad;N3s/H2_s_Cssrad] for rate rule [Cd_pri_rad;N3s/H2_s_Cssrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H4N(151)+C2H6N(13)=C2H5N(23)+C2H5N(20) 3.200000e+06 1.870 -0.630 ! Reaction index: Chemkin #555; RMG #2609 ! Template reaction: Disproportionation ! Estimated using template [Cd_pri_rad;C/H2/Nd_Rrad] for rate rule [Cd_pri_rad;C/H2/Nd_Nrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H4N(151)+C2H6N(14)=C2H5N(23)+C2H5N(20) 2.420000e+12 0.000 0.000 ! Reaction index: Chemkin #556; RMG #2743 ! Template reaction: CO_Disproportionation ! From training reaction 6 used for Cd_pri_rad;HCO ! Exact match found for rate rule [Cd_pri_rad;HCO] ! Euclidian distance = 0 ! family: CO_Disproportionation HCO(32)+C2H4N(151)=CO(30)+C2H5N(23) 9.033000e+13 0.000 0.000 ! Reaction index: Chemkin #557; RMG #4087 ! PDep reaction: PDepNetwork #152 ! Flux pairs: C2H4N(151), C2H4N(164); C2H4N(151)(+M)=C2H4N(164)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ -9.011e+00 1.721e-01 -3.792e-02 -1.321e-03 / CHEB/ 1.661e+01 3.269e-01 -3.567e-02 -1.886e-03 / CHEB/ 7.673e-02 2.514e-01 1.408e-02 -1.673e-03 / CHEB/ -3.268e-01 1.331e-01 2.323e-02 -1.480e-04 / CHEB/ -2.355e-01 1.968e-02 3.996e-03 7.612e-04 / CHEB/ -6.998e-02 -3.062e-02 -7.679e-03 6.256e-04 / ! Reaction index: Chemkin #558; RMG #3053 ! Template reaction: H_Abstraction ! Flux pairs: CH2O(36), HCO(32); C2H4N(151), C2H5N(23); ! Estimated using an average for rate rule [CO_pri;Cd_pri_rad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction CH2O(36)+C2H4N(151)=HCO(32)+C2H5N(23) 5.420000e+03 2.810 5.860 ! Reaction index: Chemkin #559; RMG #3167 ! Template reaction: H_Abstraction ! Flux pairs: CH2NH(25), H2CN(68); C2H4N(151), C2H5N(23); ! Estimated using template [N3d/H/NonDeC;Y_rad] for rate rule [N3d/H/NonDeC;Cd_pri_rad] ! Euclidian distance = 2.0 ! family: H_Abstraction CH2NH(25)+C2H4N(151)=H2CN(68)+C2H5N(23) 1.200000e+06 2.000 -0.090 ! Reaction index: Chemkin #560; RMG #4100 ! PDep reaction: PDepNetwork #153 ! Flux pairs: C2H4N(151), C2H2(39); H(5), NH3(17); H(5)+C2H4N(151)(+M)=NH3(17)+C2H2(39)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 5.886e+00 -1.403e-03 -6.437e-04 -2.049e-04 / CHEB/ 6.594e+00 -2.092e-03 -9.613e-04 -3.070e-04 / CHEB/ 3.543e-01 -3.544e-04 -1.676e-04 -5.663e-05 / CHEB/ -5.250e-01 1.433e-03 6.493e-04 2.015e-04 / CHEB/ -4.694e-01 2.292e-03 1.044e-03 3.273e-04 / CHEB/ -2.323e-01 1.806e-03 8.255e-04 2.607e-04 / ! Reaction index: Chemkin #561; RMG #3474 ! Template reaction: H_Abstraction ! Flux pairs: CH3(15), CH2(T)(35); C2H4N(151), C2H5N(23); ! Estimated using template [CH3_rad_H;Y_rad] for rate rule [CH3_rad_H;Cd_pri_rad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction CH3(15)+C2H4N(151)=CH2(T)(35)+C2H5N(23) 4.800000e+06 1.870 7.570 ! Reaction index: Chemkin #562; RMG #3573 ! PDep reaction: PDepNetwork #137 ! Flux pairs: CH2(T)(35), C2H4N(151); HCNH(69), C2H4N(151); CH2(T)(35)+HCNH(69)(+M)=C2H4N(151)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 9.475e+00 8.982e-01 -4.350e-02 -1.193e-02 / CHEB/ 6.472e-01 6.472e-02 2.675e-02 6.790e-03 / CHEB/ -2.346e-01 1.103e-02 5.257e-03 1.749e-03 / CHEB/ -3.815e-01 2.246e-03 1.211e-03 4.920e-04 / CHEB/ -1.617e-01 3.539e-03 1.311e-03 2.419e-04 / CHEB/ 4.377e-02 -1.807e-03 -7.969e-04 -2.386e-04 / ! Reaction index: Chemkin #563; RMG #3601 ! Template reaction: H_Abstraction ! Flux pairs: CH2(S)(41), CH(34); C2H4N(151), C2H5N(23); ! Estimated using template [X_H_or_Xrad_H_Xbirad_H_Xtrirad_H;Cd_pri_rad] for rate rule [CH2_singlet_H;Cd_pri_rad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction CH2(S)(41)+C2H4N(151)=CH(34)+C2H5N(23) 6.451598e+00 3.469 -0.749 ! Reaction index: Chemkin #564; RMG #3712 ! Template reaction: Disproportionation ! Estimated using template [Y_rad;CH_d_Rrad] for rate rule [Cd_pri_rad;Cds/H/NonDe_d_Rrad] ! Euclidian distance = 2.8284271247461903 ! family: Disproportionation CH3CHN(22)+C2H4N(151)=CH3CN(29)+C2H5N(23) 4.301018e+06 1.908 -1.134 ! Reaction index: Chemkin #565; RMG #1213 ! Template reaction: H_Abstraction ! Flux pairs: H2(7), H(5); C2H4N(150), C2H5N(23); ! Estimated using template [H2;Cd_sec_rad] for rate rule [H2;Cd_rad/NonDeN] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction H2(7)+C2H4N(150)=H(5)+C2H5N(23) 2.382924e-02 4.340 7.122 ! Reaction index: Chemkin #566; RMG #1216 ! Template reaction: H_Abstraction ! Flux pairs: OH(3), O(6); C2H4N(150), C2H5N(23); ! Estimated using template [X_H_or_Xrad_H_Xbirad_H_Xtrirad_H;Cd_sec_rad] for rate rule [OH_rad_H;Cd_rad/NonDeN] ! Euclidian distance = 2.23606797749979 ! family: H_Abstraction OH(3)+C2H4N(150)=O(6)+C2H5N(23) 5.827083e-02 4.049 4.397 ! Reaction index: Chemkin #567; RMG #1222 ! Template reaction: H_Abstraction ! Flux pairs: H2O2(11), HO2(10); C2H4N(150), C2H5N(23); ! Estimated using template [H2O2;Cd_sec_rad] for rate rule [H2O2;Cd_rad/NonDeN] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction H2O2(11)+C2H4N(150)=HO2(10)+C2H5N(23) 8.750000e-01 3.590 -4.030 ! Reaction index: Chemkin #568; RMG #1231 ! Template reaction: H_Abstraction ! Flux pairs: HO2(10), O2(2); C2H4N(150), C2H5N(23); ! Estimated using template [X_H;Cd_sec_rad] for rate rule [Orad_O_H;Cd_rad/NonDeN] ! Euclidian distance = 2.23606797749979 ! family: H_Abstraction HO2(10)+C2H4N(150)=O2(2)+C2H5N(23) 5.412435e-02 4.061 4.314 ! Reaction index: Chemkin #569; RMG #1235 ! Template reaction: H_Abstraction ! Flux pairs: OH(3), H2O(8); C2H5N(23), C2H4N(150); ! Estimated using template [Cd_H;O_pri_rad] for rate rule [Cd/H/NonDeN;O_pri_rad] ! Euclidian distance = 2.0 ! family: H_Abstraction OH(3)+C2H5N(23)=H2O(8)+C2H4N(150) 1.536897e+03 2.951 6.309 ! Reaction index: Chemkin #570; RMG #1240 ! Template reaction: H_Abstraction ! Flux pairs: CH4(16), CH3(15); C2H4N(150), C2H5N(23); ! Estimated using template [C_methane;Cd_sec_rad] for rate rule [C_methane;Cd_rad/NonDeN] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 4.0 ! family: H_Abstraction CH4(16)+C2H4N(150)=CH3(15)+C2H5N(23) 2.203579e-02 4.340 9.811 ! Reaction index: Chemkin #571; RMG #1260 ! Template reaction: Disproportionation ! Estimated using template [Y_rad;N3s/H2_s_Cssrad] for rate rule [Cd_rad/NonDeN;N3s/H2_s_Cssrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation CH2NH2(26)+C2H4N(150)=CH2NH(25)+C2H5N(23) 3.200000e+06 1.870 -0.630 ! Reaction index: Chemkin #572; RMG #1273 ! Template reaction: H_Abstraction ! Flux pairs: NCC(1), C2H6N(13); C2H4N(150), C2H5N(23); ! Estimated using template [C_sec;Cd_sec_rad] for rate rule [C/H2/NonDeN;Cd_rad/NonDeN] ! Euclidian distance = 1.4142135623730951 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction C2H4N(150)+NCC(1)=C2H5N(23)+C2H6N(13) 6.826403e-03 4.295 0.649 ! Reaction index: Chemkin #573; RMG #1275 ! Template reaction: Disproportionation ! Flux pairs: C2H4N(150), C2H5N(23); C2H6N(12), C2H5N(23); ! Estimated using template [Cd_rad;Cpri_Rrad] for rate rule [Cd_rad/NonDeN;Cpri_Rrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H4N(150)+C2H6N(12)=C2H5N(23)+C2H5N(23) 2.420000e+12 0.000 0.000 ! Reaction index: Chemkin #574; RMG #1276 ! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cmethyl_Csrad] for rate rule [Cd_rad/NonDeN;Cmethyl_Csrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C2H4N(150)+C2H6N(13)=C2H5N(23)+C2H5N(23) 4.560000e+14 -0.700 0.000 ! Reaction index: Chemkin #575; RMG #4351 ! PDep reaction: PDepNetwork #155 ! Flux pairs: H(5), C2H5N(23); C2H4N(150), C2H5N(23); H(5)+C2H4N(150)(+M)=C2H5N(23)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 5.966e+00 9.977e-01 -1.066e-03 -3.372e-04 / CHEB/ 5.460e+00 -3.569e-03 -1.636e-03 -5.195e-04 / CHEB/ -9.889e-02 -8.955e-04 -4.207e-04 -1.403e-04 / CHEB/ -7.214e-01 1.898e-03 8.503e-04 2.574e-04 / CHEB/ -5.411e-01 3.336e-03 1.508e-03 4.656e-04 / CHEB/ -2.407e-01 2.762e-03 1.255e-03 3.915e-04 / ! Reaction index: Chemkin #576; RMG #1341 ! Template reaction: H_Abstraction ! Flux pairs: NCC(1), C2H6N(12); C2H4N(150), C2H5N(23); ! Estimated using template [C/H3/Cs;Cd_sec_rad] for rate rule [C/H3/Cs;Cd_rad/NonDeN] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction C2H4N(150)+NCC(1)=C2H5N(23)+C2H6N(12) 1.764908e-03 4.576 5.693 ! Reaction index: Chemkin #577; RMG #1459 ! Template reaction: H_Abstraction ! Flux pairs: NCC(1), C2H6N(14); C2H4N(150), C2H5N(23); ! Estimated using template [N3s/H2/NonDeC;Y_rad] for rate rule [N3s/H2/NonDeC;Cd_rad/NonDeN] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction C2H4N(150)+NCC(1)=C2H5N(23)+C2H6N(14) 1.517893e+07 1.828 12.179 ! Reaction index: Chemkin #578; RMG #1702 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(20), C2H4N(21); C2H4N(150), C2H5N(23); ! Estimated using template [C/H3/OneDe;Cd_sec_rad] for rate rule [C/H3/OneDe;Cd_rad/NonDeN] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction C2H4N(150)+C2H5N(20)=C2H4N(21)+C2H5N(23) 5.008186e-03 4.340 2.650 ! Reaction index: Chemkin #579; RMG #1707 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(23), C2H4N(21); C2H4N(150), C2H5N(23); ! Estimated using template [N3s/H2/OneDe;Y_rad] for rate rule [N3s/H2/OneDe;Cd_rad/NonDeN] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction C2H4N(150)+C2H5N(23)=C2H4N(21)+C2H5N(23) 4.985154e+06 2.000 6.338 ! Reaction index: Chemkin #580; RMG #4323 ! PDep reaction: PDepNetwork #154 ! Flux pairs: C2H4N(150), C2H4N(21); C2H4N(150)(+M)=C2H4N(21)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ -3.583e+00 3.753e-01 -4.560e-02 9.034e-04 / CHEB/ 1.245e+01 1.763e-01 8.751e-03 -1.272e-03 / CHEB/ -4.422e-01 2.166e-01 -2.270e-04 -1.999e-03 / CHEB/ -2.792e-01 9.661e-02 2.204e-03 -3.263e-04 / CHEB/ -1.311e-01 2.087e-02 3.875e-03 3.575e-04 / CHEB/ -3.756e-02 -9.261e-03 2.144e-03 3.225e-04 / ! Reaction index: Chemkin #581; RMG #4353 ! PDep reaction: PDepNetwork #155 ! Flux pairs: C2H4N(150), C2H4N(21); H(5), H(5); H(5)+C2H4N(150)(+M)=H(5)+C2H4N(21)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 6.725e+00 -6.173e-04 -2.877e-04 -9.455e-05 / CHEB/ 6.564e+00 -9.146e-04 -4.267e-04 -1.405e-04 / CHEB/ 5.184e-01 -1.370e-04 -6.527e-05 -2.240e-05 / CHEB/ -4.348e-01 6.591e-04 3.050e-04 9.871e-05 / CHEB/ -4.387e-01 1.035e-03 4.802e-04 1.564e-04 / CHEB/ -2.403e-01 8.046e-04 3.742e-04 1.224e-04 / ! Reaction index: Chemkin #582; RMG #1864 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(20), CH3CHN(22); C2H4N(150), C2H5N(23); ! Estimated using template [N3d/H/NonDeC;Y_rad] for rate rule [N3d/H/NonDeC;Cd_rad/NonDeN] ! Euclidian distance = 3.0 ! family: H_Abstraction C2H4N(150)+C2H5N(20)=CH3CHN(22)+C2H5N(23) 1.200000e+06 2.000 -0.090 ! Reaction index: Chemkin #583; RMG #1956 ! Template reaction: Disproportionation ! Flux pairs: C2H4N(150), HCN(28); HCNH(69), C2H5N(23); ! Estimated using template [Y_rad;N3d/H_d_Crad] for rate rule [Cd_rad/NonDeN;N3d/H_d_Crad] ! Euclidian distance = 3.0 ! family: Disproportionation HCNH(69)+C2H4N(150)=HCN(28)+C2H5N(23) 8.200000e+05 1.870 -1.110 ! Reaction index: Chemkin #584; RMG #1957 ! Template reaction: Disproportionation ! Estimated using template [Y_rad;Cds/H2_d_N3rad] for rate rule [Cd_rad/NonDeN;Cds/H2_d_N3rad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation H2CN(68)+C2H4N(150)=HCN(28)+C2H5N(23) 1.620000e+06 1.870 -1.110 ! Reaction index: Chemkin #585; RMG #2012 ! Template reaction: Disproportionation ! Flux pairs: H(5), H2(7); C2H4N(150), CH2CNH(27); ! Estimated using template [H_rad;N3s/H2_s_Crad] for rate rule [H_rad;N3s/H2_s_Cdsrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation H(5)+C2H4N(150)=H2(7)+CH2CNH(27) 8.000000e+08 1.500 -0.890 ! Reaction index: Chemkin #586; RMG #2014 ! Template reaction: Disproportionation ! Flux pairs: OH(3), H2O(8); C2H4N(150), CH2CNH(27); ! Estimated using template [O_pri_rad;N3s/H2_s_Crad] for rate rule [O_pri_rad;N3s/H2_s_Cdsrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation OH(3)+C2H4N(150)=H2O(8)+CH2CNH(27) 4.800000e+06 2.000 -1.190 ! Reaction index: Chemkin #587; RMG #2016 ! Template reaction: Disproportionation ! Flux pairs: O2(2), HO2(10); C2H4N(150), CH2CNH(27); ! Estimated using template [Y_rad_birad_trirad_quadrad;N3s/H2_s_Crad] for rate rule [O2b;N3s/H2_s_Cdsrad] ! Euclidian distance = 2.23606797749979 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation O2(2)+C2H4N(150)=HO2(10)+CH2CNH(27) 1.775744e+08 1.658 -0.851 ! Reaction index: Chemkin #588; RMG #2020 ! Template reaction: Disproportionation ! Flux pairs: HO2(10), H2O2(11); C2H4N(150), CH2CNH(27); ! Estimated using template [O_rad/NonDeO;N3s/H2_s_Rrad] for rate rule [O_rad/NonDeO;N3s/H2_s_Cdsrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation HO2(10)+C2H4N(150)=H2O2(11)+CH2CNH(27) 5.800000e+04 2.690 -1.600 ! Reaction index: Chemkin #589; RMG #2022 ! Template reaction: Disproportionation ! Flux pairs: C2H6N(13), NCC(1); C2H4N(150), CH2CNH(27); ! Estimated using template [Y_rad;N3s/H2_s_Crad] for rate rule [C_rad/H/NonDeN;N3s/H2_s_Cdsrad] ! Euclidian distance = 3.1622776601683795 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H4N(150)+C2H6N(13)=CH2CNH(27)+NCC(1) 2.307599e+07 1.790 -0.903 ! Reaction index: Chemkin #590; RMG #2024 ! Template reaction: Disproportionation ! Estimated using template [Y_rad;N3s/H2_s_Crad] for rate rule [C_rad/H2/Cs;N3s/H2_s_Cdsrad] ! Euclidian distance = 3.1622776601683795 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H4N(150)+C2H6N(12)=CH2CNH(27)+NCC(1) 2.307599e+07 1.790 -0.903 ! Reaction index: Chemkin #591; RMG #2026 ! Template reaction: Disproportionation ! Estimated using template [N3s_rad;N3s/H2_s_Rrad] for rate rule [N3s_rad/H/NonDeC;N3s/H2_s_Cdsrad] ! Euclidian distance = 3.605551275463989 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H4N(150)+C2H6N(14)=CH2CNH(27)+NCC(1) 1.819890e+06 1.940 -1.150 ! Reaction index: Chemkin #592; RMG #2030 ! Template reaction: Disproportionation ! Flux pairs: O(6), OH(3); C2H4N(150), CH2CNH(27); ! Estimated using template [O_atom_triplet;N3s/H2_s_Crad] for rate rule [O_atom_triplet;N3s/H2_s_Cdsrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation O(6)+C2H4N(150)=OH(3)+CH2CNH(27) 6.600000e+08 1.500 -0.890 ! Reaction index: Chemkin #593; RMG #2034 ! Template reaction: Disproportionation ! Flux pairs: CH2(T)(35), CH3(15); C2H4N(150), CH2CNH(27); ! Estimated using template [Y_1centerbirad;N3s/H2_s_Crad] for rate rule [CH2_triplet;N3s/H2_s_Cdsrad] ! Euclidian distance = 1.4142135623730951 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation CH2(T)(35)+C2H4N(150)=CH3(15)+CH2CNH(27) 6.600000e+08 1.500 -0.890 ! Reaction index: Chemkin #594; RMG #2055 ! Template reaction: Disproportionation ! Flux pairs: HCNH(69), CH2CNH(27); C2H4N(150), CH2NH(25); ! Estimated using template [Y_rad;N3s/H2_s_Crad] for rate rule [Y_rad;N3s/H2_s_Cdsrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation HCNH(69)+C2H4N(150)=CH2NH(25)+CH2CNH(27) 2.307599e+07 1.790 -0.903 ! Reaction index: Chemkin #595; RMG #2058 ! Template reaction: Disproportionation ! Estimated using template [N3_rad;N3s/H2_s_Rrad] for rate rule [N3d_rad/C;N3s/H2_s_Cdsrad] ! Euclidian distance = 2.8284271247461903 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation H2CN(68)+C2H4N(150)=CH2NH(25)+CH2CNH(27) 1.819890e+06 1.940 -1.150 ! Reaction index: Chemkin #596; RMG #2076 ! Template reaction: Disproportionation ! Flux pairs: C2H4N(150), CH2CNH(27); C2H4N(150), C2H5N(23); ! Estimated using template [Y_rad;N3s/H2_s_Crad] for rate rule [Cd_rad/NonDeN;N3s/H2_s_Cdsrad] ! Euclidian distance = 3.1622776601683795 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H4N(150)+C2H4N(150)=CH2CNH(27)+C2H5N(23) 2.307599e+07 1.790 -0.903 ! Reaction index: Chemkin #597; RMG #2078 ! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cdpri_Rrad] for rate rule [Cd_rad/NonDeN;Cdpri_Nrad] ! Euclidian distance = 2.23606797749979 ! family: Disproportionation C2H4N(21)+C2H4N(150)=CH2CNH(27)+C2H5N(23) 2.410000e+12 0.000 6.000 DUPLICATE ! Reaction index: Chemkin #598; RMG #2079 ! Template reaction: Disproportionation ! Estimated using template [Y_rad;N3s/H2_s_Crad] for rate rule [Cd_pri_rad;N3s/H2_s_Cdsrad] ! Euclidian distance = 2.23606797749979 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H4N(151)+C2H4N(150)=CH2CNH(27)+C2H5N(23) 2.307599e+07 1.790 -0.903 ! Reaction index: Chemkin #599; RMG #2082 ! Template reaction: Disproportionation ! Estimated using template [N3s_rad;N3s/H2_s_Rrad] for rate rule [N3s_rad/H/OneDe;N3s/H2_s_Cdsrad] ! Euclidian distance = 2.8284271247461903 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H4N(21)+C2H4N(150)=CH2CNH(27)+C2H5N(23) 1.819890e+06 1.940 -1.150 DUPLICATE ! Reaction index: Chemkin #600; RMG #2110 ! Template reaction: Disproportionation ! Flux pairs: CH3(15), CH4(16); C2H4N(150), CH2CNH(27); ! Estimated using template [Y_rad;N3s/H2_s_Crad] for rate rule [C_methyl;N3s/H2_s_Cdsrad] ! Euclidian distance = 2.23606797749979 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation CH3(15)+C2H4N(150)=CH4(16)+CH2CNH(27) 2.307599e+07 1.790 -0.903 ! Reaction index: Chemkin #601; RMG #2112 ! Template reaction: Disproportionation ! Flux pairs: HCO(32), CH2CNH(27); C2H4N(150), CH2O(36); ! Estimated using template [Y_rad;N3s/H2_s_Crad] for rate rule [CO_pri_rad;N3s/H2_s_Cdsrad] ! Euclidian distance = 2.23606797749979 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation HCO(32)+C2H4N(150)=CH2O(36)+CH2CNH(27) 2.307599e+07 1.790 -0.903 ! Reaction index: Chemkin #602; RMG #2125 ! Template reaction: Disproportionation ! Estimated using template [N3_rad;N3s/H2_s_Rrad] for rate rule [N3d_rad/C;N3s/H2_s_Cdsrad] ! Euclidian distance = 2.8284271247461903 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H3N(165)+C2H4N(150)=CH2CNH(27)+C2H4N(21) 1.819890e+06 1.940 -1.150 ! Reaction index: Chemkin #603; RMG #2138 ! Template reaction: Disproportionation ! Flux pairs: C2H3N(165), CH2CNH(27); C2H4N(150), CH3CHN(22); ! Estimated using template [Y_rad;N3s/H2_s_Crad] for rate rule [C_rad/H2/Cd;N3s/H2_s_Cdsrad] ! Euclidian distance = 3.1622776601683795 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H3N(165)+C2H4N(150)=CH2CNH(27)+CH3CHN(22) 2.307599e+07 1.790 -0.903 ! Reaction index: Chemkin #604; RMG #2273 ! Template reaction: H_Abstraction ! Flux pairs: C2H4N(21), C2H3N(165); C2H4N(150), C2H5N(23); ! Estimated using template [N3d/H/NonDe;Y_rad] for rate rule [N3d/H/NonDe;Cd_rad/NonDeN] ! Euclidian distance = 3.0 ! family: H_Abstraction C2H4N(21)+C2H4N(150)=C2H3N(165)+C2H5N(23) 6.250660e+06 1.844 2.669 ! Reaction index: Chemkin #605; RMG #2274 ! Template reaction: H_Abstraction ! Flux pairs: CH3CHN(22), C2H3N(165); C2H4N(150), C2H5N(23); ! Estimated using template [C/H3/OneDe;Cd_sec_rad] for rate rule [C/H3/OneDe;Cd_rad/NonDeN] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction CH3CHN(22)+C2H4N(150)=C2H3N(165)+C2H5N(23) 5.008186e-03 4.340 2.650 ! Reaction index: Chemkin #606; RMG #2411 ! PDep reaction: PDepNetwork #65 ! Flux pairs: H(5), C2H4N(150); C2H3N(165), C2H4N(150); H(5)+C2H3N(165)(+M)=C2H4N(150)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.073e+01 2.760e-01 -6.222e-02 6.144e-03 / CHEB/ 1.682e+00 2.589e-01 -1.450e-02 -6.686e-03 / CHEB/ -5.518e-01 8.515e-02 2.786e-02 -2.289e-03 / CHEB/ -4.473e-01 5.325e-02 1.553e-02 2.068e-03 / CHEB/ -1.645e-01 4.410e-02 -1.862e-03 6.919e-04 / CHEB/ -1.323e-02 1.578e-02 -6.381e-03 -7.368e-04 / ! Reaction index: Chemkin #607; RMG #2471 ! Template reaction: H_Abstraction ! Flux pairs: CH2NH(25), HCNH(69); C2H4N(150), C2H5N(23); ! Estimated using template [Cd_pri;Cd_sec_rad] for rate rule [Cd/H2/NonDeN;Cd_rad/NonDeN] ! Euclidian distance = 1.4142135623730951 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction CH2NH(25)+C2H4N(150)=HCNH(69)+C2H5N(23) 1.823236e-02 4.340 10.222 ! Reaction index: Chemkin #608; RMG #2606 ! Template reaction: Disproportionation ! Flux pairs: C2H4N(150), C2H5N(20); C2H6N(13), C2H5N(23); ! Estimated using template [Y_rad;N3s/H2_s_Cssrad] for rate rule [Cd_rad/NonDeN;N3s/H2_s_Cssrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H4N(150)+C2H6N(13)=C2H5N(23)+C2H5N(20) 3.200000e+06 1.870 -0.630 ! Reaction index: Chemkin #609; RMG #2607 ! Template reaction: Disproportionation ! Estimated using template [Cd_rad;C/H2/Nd_Rrad] for rate rule [Cd_rad/NonDeN;C/H2/Nd_Nrad] ! Euclidian distance = 2.23606797749979 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H4N(150)+C2H6N(14)=C2H5N(23)+C2H5N(20) 2.420000e+12 0.000 0.000 ! Reaction index: Chemkin #610; RMG #2668 ! Template reaction: Disproportionation ! Estimated using template [Y_rad;N3s/H2_s_Crad] for rate rule [C_rad/H2/Cd;N3s/H2_s_Cdsrad] ! Euclidian distance = 3.1622776601683795 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H4N(21)+C2H4N(150)=CH2CNH(27)+C2H5N(20) 2.307599e+07 1.790 -0.903 ! Reaction index: Chemkin #611; RMG #2670 ! Template reaction: Disproportionation ! Estimated using template [N3_rad;N3s/H2_s_Rrad] for rate rule [N3d_rad/C;N3s/H2_s_Cdsrad] ! Euclidian distance = 2.8284271247461903 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation CH3CHN(22)+C2H4N(150)=CH2CNH(27)+C2H5N(20) 1.819890e+06 1.940 -1.150 ! Reaction index: Chemkin #612; RMG #2742 ! Template reaction: CO_Disproportionation ! Estimated using template [Cd_rad;HCO] for rate rule [Cd_rad/NonDeN;HCO] ! Euclidian distance = 2.0 ! family: CO_Disproportionation HCO(32)+C2H4N(150)=CO(30)+C2H5N(23) 9.033000e+13 0.000 0.000 ! Reaction index: Chemkin #613; RMG #4336 ! PDep reaction: PDepNetwork #154 ! Flux pairs: C2H4N(150), C2H4N(164); C2H4N(150)(+M)=C2H4N(164)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ -5.384e+00 3.964e-01 -5.019e-02 -7.055e-04 / CHEB/ 1.324e+01 2.075e-01 9.614e-03 -1.024e-03 / CHEB/ -1.608e-01 2.277e-01 7.488e-04 -2.056e-03 / CHEB/ -1.877e-01 9.936e-02 2.369e-03 -5.105e-04 / CHEB/ -1.406e-01 2.024e-02 3.492e-03 3.389e-04 / CHEB/ -8.272e-02 -1.037e-02 1.761e-03 3.489e-04 / ! Reaction index: Chemkin #614; RMG #3052 ! Template reaction: H_Abstraction ! Flux pairs: CH2O(36), HCO(32); C2H4N(150), C2H5N(23); ! Estimated using template [CO_pri;Cd_rad] for rate rule [CO_pri;Cd_rad/NonDeN] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction CH2O(36)+C2H4N(150)=HCO(32)+C2H5N(23) 5.420000e+03 2.810 5.860 ! Reaction index: Chemkin #615; RMG #3166 ! Template reaction: H_Abstraction ! Flux pairs: CH2NH(25), H2CN(68); C2H4N(150), C2H5N(23); ! Estimated using template [N3d/H/NonDeC;Y_rad] for rate rule [N3d/H/NonDeC;Cd_rad/NonDeN] ! Euclidian distance = 3.0 ! family: H_Abstraction CH2NH(25)+C2H4N(150)=H2CN(68)+C2H5N(23) 1.200000e+06 2.000 -0.090 ! Reaction index: Chemkin #616; RMG #4352 ! PDep reaction: PDepNetwork #155 ! Flux pairs: C2H4N(150), C2H2(39); H(5), NH3(17); H(5)+C2H4N(150)(+M)=NH3(17)+C2H2(39)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 5.849e+00 -1.178e-03 -5.434e-04 -1.748e-04 / CHEB/ 6.592e+00 -1.759e-03 -8.122e-04 -2.621e-04 / CHEB/ 3.728e-01 -3.021e-04 -1.432e-04 -4.859e-05 / CHEB/ -5.140e-01 1.197e-03 5.458e-04 1.716e-04 / CHEB/ -4.680e-01 1.919e-03 8.794e-04 2.791e-04 / CHEB/ -2.355e-01 1.515e-03 6.965e-04 2.225e-04 / ! Reaction index: Chemkin #617; RMG #3410 ! Template reaction: Disproportionation ! Flux pairs: CH(34), CH2(S)(41); C2H4N(150), CH2CNH(27); ! Estimated using template [Y_rad_birad_trirad_quadrad;N3s/H2_s_Crad] for rate rule [CH_doublet;N3s/H2_s_Cdsrad] ! Euclidian distance = 2.23606797749979 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation CH(34)+C2H4N(150)=CH2(S)(41)+CH2CNH(27) 8.878721e+07 1.658 -0.851 ! Reaction index: Chemkin #618; RMG #3473 ! Template reaction: H_Abstraction ! Flux pairs: CH3(15), CH2(T)(35); C2H4N(150), C2H5N(23); ! Estimated using template [CH3_rad_H;Y_rad] for rate rule [CH3_rad_H;Cd_rad/NonDeN] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction CH3(15)+C2H4N(150)=CH2(T)(35)+C2H5N(23) 4.800000e+06 1.870 7.570 ! Reaction index: Chemkin #619; RMG #3572 ! PDep reaction: PDepNetwork #137 ! Flux pairs: CH2(T)(35), C2H4N(150); HCNH(69), C2H4N(150); CH2(T)(35)+HCNH(69)(+M)=C2H4N(150)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 9.131e+00 9.146e-01 -3.592e-02 -9.500e-03 / CHEB/ 1.512e+00 5.073e-02 2.025e-02 4.674e-03 / CHEB/ -6.042e-01 1.247e-02 5.854e-03 1.898e-03 / CHEB/ -3.793e-01 3.446e-03 1.759e-03 6.661e-04 / CHEB/ -7.502e-02 4.165e-03 1.594e-03 3.304e-04 / CHEB/ 5.862e-02 -1.546e-03 -6.863e-04 -2.086e-04 / ! Reaction index: Chemkin #620; RMG #3600 ! Template reaction: H_Abstraction ! Flux pairs: CH2(S)(41), CH(34); C2H4N(150), C2H5N(23); ! Estimated using template [X_H_or_Xrad_H_Xbirad_H_Xtrirad_H;Cd_sec_rad] for rate rule [CH2_singlet_H;Cd_rad/NonDeN] ! Euclidian distance = 2.23606797749979 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction CH2(S)(41)+C2H4N(150)=CH(34)+C2H5N(23) 1.165417e-01 4.049 4.397 ! Reaction index: Chemkin #621; RMG #3710 ! Template reaction: Disproportionation ! Estimated using template [Y_rad;CH_d_Rrad] for rate rule [Cd_rad/NonDeN;Cds/H/NonDe_d_Rrad] ! Euclidian distance = 3.605551275463989 ! family: Disproportionation CH3CHN(22)+C2H4N(150)=CH3CN(29)+C2H5N(23) 4.301018e+06 1.908 -1.134 ! Reaction index: Chemkin #622; RMG #3909 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(23), C2H4N(151); C2H4N(150), C2H5N(23); ! Estimated using template [Cd/H2/NonDeC;Cd_sec_rad] for rate rule [Cd/H2/NonDeC;Cd_rad/NonDeN] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction C2H4N(150)+C2H5N(23)=C2H4N(151)+C2H5N(23) 1.823236e-02 4.340 10.222 ! Reaction index: Chemkin #623; RMG #4324 ! PDep reaction: PDepNetwork #154 ! Flux pairs: C2H4N(150), C2H4N(151); C2H4N(150)(+M)=C2H4N(151)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ -9.278e+00 1.693e+00 -6.189e-02 -1.177e-02 / CHEB/ 1.504e+01 -1.726e-01 1.727e-02 6.729e-03 / CHEB/ -8.001e-01 7.602e-02 3.751e-02 9.674e-04 / CHEB/ -2.792e-01 1.072e-01 1.330e-02 -3.800e-03 / CHEB/ -1.640e-02 1.087e-02 -8.655e-03 1.832e-04 / CHEB/ 3.824e-02 -3.064e-02 -5.263e-03 3.708e-03 / ! Reaction index: Chemkin #624; RMG #4354 ! PDep reaction: PDepNetwork #155 ! Flux pairs: C2H4N(150), C2H4N(151); H(5), H(5); H(5)+C2H4N(150)(+M)=H(5)+C2H4N(151)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 2.051e+00 -1.303e-04 -6.209e-05 -2.131e-05 / CHEB/ 8.860e+00 -1.975e-04 -9.414e-05 -3.234e-05 / CHEB/ 1.050e+00 -4.325e-05 -2.071e-05 -7.180e-06 / CHEB/ -3.122e-01 1.174e-04 5.577e-05 1.904e-05 / CHEB/ -4.312e-01 1.988e-04 9.460e-05 3.237e-05 / CHEB/ -2.546e-01 1.634e-04 7.779e-05 2.666e-05 / ! Reaction index: Chemkin #625; RMG #4115 ! PDep reaction: PDepNetwork #62 ! Flux pairs: H(5), C2H4N(150); CH2CNH(27), C2H4N(150); H(5)+CH2CNH(27)(+M)=C2H4N(150)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 7.678e+00 3.342e-01 -3.994e-02 2.208e-04 / CHEB/ 5.670e-02 1.077e-01 1.706e-02 -1.239e-03 / CHEB/ -1.305e+00 1.702e-01 6.953e-03 -3.109e-03 / CHEB/ -5.248e-01 7.144e-02 3.780e-03 5.195e-05 / CHEB/ -2.085e-01 6.308e-03 5.400e-03 4.893e-04 / CHEB/ -6.935e-02 -1.269e-02 1.775e-03 6.167e-04 / ! Reaction index: Chemkin #626; RMG #4117 ! PDep reaction: PDepNetwork #62 ! Flux pairs: H(5), C2H4N(164); CH2CNH(27), C2H4N(164); H(5)+CH2CNH(27)(+M)=C2H4N(164)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 4.210e+00 -2.457e-01 -6.378e-02 -3.583e-03 / CHEB/ 3.340e+00 2.405e-01 8.525e-03 1.173e-03 / CHEB/ -7.429e-01 2.533e-01 1.059e-02 -1.153e-03 / CHEB/ -5.167e-01 1.069e-01 4.965e-03 -2.569e-04 / CHEB/ -2.828e-01 1.331e-02 4.249e-04 2.365e-04 / CHEB/ -1.289e-01 -1.829e-02 -2.309e-03 4.308e-04 / ! Reaction index: Chemkin #627; RMG #4118 ! PDep reaction: PDepNetwork #62 ! Flux pairs: H(5), C2H4N(151); CH2CNH(27), C2H4N(151); H(5)+CH2CNH(27)(+M)=C2H4N(151)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.413e+00 7.689e-01 -4.834e-02 -1.024e-02 / CHEB/ 4.149e+00 -1.075e-01 2.158e-02 7.658e-03 / CHEB/ -1.255e+00 5.823e-02 2.857e-02 3.765e-03 / CHEB/ -4.991e-01 8.882e-02 7.575e-03 -2.347e-04 / CHEB/ -1.451e-01 2.370e-02 -1.237e-02 3.049e-04 / CHEB/ -2.628e-02 -9.918e-03 -9.805e-03 1.303e-03 / ! Reaction index: Chemkin #628; RMG #4141 ! PDep reaction: PDepNetwork #137 ! Flux pairs: HCNH(69), CH2CNH(27); CH2(T)(35), H(5); CH2(T)(35)+HCNH(69)(+M)=H(5)+CH2CNH(27)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.172e+01 -7.950e-02 -3.353e-02 -8.911e-03 / CHEB/ -1.605e+00 5.430e-02 2.186e-02 5.165e-03 / CHEB/ -1.362e+00 1.321e-02 6.178e-03 1.996e-03 / CHEB/ -6.660e-01 2.850e-03 1.506e-03 5.998e-04 / CHEB/ -2.114e-01 3.458e-03 1.303e-03 2.575e-04 / CHEB/ -1.311e-02 -1.683e-03 -7.548e-04 -2.329e-04 / ! Reaction index: Chemkin #629; RMG #4137 ! PDep reaction: PDepNetwork #65 ! Flux pairs: C2H3N(165), CH2CNH(27); H(5), H(5); H(5)+C2H3N(165)(+M)=H(5)+CH2CNH(27)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.235e+01 -6.528e-01 -6.218e-02 5.489e-03 / CHEB/ -1.047e+00 3.410e-01 -7.646e-03 -7.788e-03 / CHEB/ -1.226e+00 9.965e-02 3.266e-02 -1.681e-03 / CHEB/ -7.431e-01 4.411e-02 1.589e-02 2.655e-03 / CHEB/ -3.155e-01 3.621e-02 -1.687e-03 5.151e-04 / CHEB/ -8.617e-02 1.245e-02 -5.263e-03 -9.907e-04 / ! Reaction index: Chemkin #630; RMG #4209 ! Template reaction: Disproportionation ! Flux pairs: C2H4N(21), CH2CNH(27); C2H4N(150), C2H5N(23); ! Estimated using template [Cd_rad;Cdpri_Csrad] for rate rule [Cd_rad/NonDeN;Cdpri_Csrad] ! Euclidian distance = 2.0 ! family: Disproportionation C2H4N(21)+C2H4N(150)=CH2CNH(27)+C2H5N(23) 2.410000e+12 0.000 6.000 DUPLICATE ! Reaction index: Chemkin #631; RMG #4218 ! Template reaction: Disproportionation ! Flux pairs: C2H4N(150), CH2CNH(27); C2H4N(21), C2H5N(23); ! Estimated using template [N3s_rad;N3s/H2_s_Rrad] for rate rule [N3s_rad/H/OneDe;N3s/H2_s_Cdsrad] ! Euclidian distance = 2.8284271247461903 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H4N(21)+C2H4N(150)=CH2CNH(27)+C2H5N(23) 1.819890e+06 1.940 -1.150 DUPLICATE ! Reaction index: Chemkin #632; RMG #140 ! Library reaction: FFCM1(-) ! Flux pairs: CH3(15), C2H5(48); CH3(15), H(5); CH3(15)+CH3(15)=H(5)+C2H5(48) 7.621000e+12 0.100 10.600 ! Reaction index: Chemkin #633; RMG #276 ! Library reaction: FFCM1(-) ! Flux pairs: C2H5(48), C2H4(24); H(5), H2(7); H(5)+C2H5(48)=H2(7)+C2H4(24) 1.810000e+12 0.000 0.000 ! Reaction index: Chemkin #634; RMG #277 ! Library reaction: FFCM1(-) ! Flux pairs: C2H5(48), CH2O(36); O(6), CH3(15); O(6)+C2H5(48)=CH2O(36)+CH3(15) 4.420000e+13 0.000 0.000 ! Reaction index: Chemkin #635; RMG #279 ! Library reaction: FFCM1(-) ! Flux pairs: C2H5(48), C2H4(24); O(6), OH(3); O(6)+C2H5(48)=OH(3)+C2H4(24) 2.940000e+13 0.000 0.000 ! Reaction index: Chemkin #636; RMG #280 ! Library reaction: FFCM1(-) ! Flux pairs: C2H5(48), C2H4(24); O2(2), HO2(10); O2(2)+C2H5(48)=HO2(10)+C2H4(24) 1.355000e+07 1.090 -1.975 ! Reaction index: Chemkin #637; RMG #281 ! Library reaction: FFCM1(-) ! Flux pairs: C2H5(48), C2H4(24); CH3(15), CH4(16); CH3(15)+C2H5(48)=CH4(16)+C2H4(24) 9.000000e+11 0.000 0.000 ! Reaction index: Chemkin #638; RMG #282 ! Library reaction: FFCM1(-) ! Flux pairs: C2H5(48), C2H6(47); CH2O(36), HCO(32); CH2O(36)+C2H5(48)=HCO(32)+C2H6(47) 5.500000e+03 2.810 5.860 ! Reaction index: Chemkin #639; RMG #284 ! Library reaction: FFCM1(-) ! Flux pairs: C2H6(47), C2H5(48); H(5), H2(7); H(5)+C2H6(47)=H2(7)+C2H5(48) 1.133000e+08 1.900 7.530 ! Reaction index: Chemkin #640; RMG #285 ! Library reaction: FFCM1(-) ! Flux pairs: C2H6(47), C2H5(48); O(6), OH(3); O(6)+C2H6(47)=OH(3)+C2H5(48) 1.763000e+05 2.800 5.803 ! Reaction index: Chemkin #641; RMG #286 ! Library reaction: FFCM1(-) ! Flux pairs: C2H6(47), C2H5(48); OH(3), H2O(8); OH(3)+C2H6(47)=H2O(8)+C2H5(48) 9.463000e+06 2.000 0.994 ! Reaction index: Chemkin #642; RMG #288 ! Library reaction: FFCM1(-) ! Flux pairs: C2H6(47), C2H5(48); CH2(S)(41), CH3(15); CH2(S)(41)+C2H6(47)=CH3(15)+C2H5(48) 3.300000e+13 0.000 -0.660 ! Reaction index: Chemkin #643; RMG #289 ! Library reaction: FFCM1(-) CH3(15)+C2H6(47)=CH4(16)+C2H5(48) 5.600000e+10 0.000 9.420 DUPLICATE ! Reaction index: Chemkin #644; RMG #289 ! Library reaction: FFCM1(-) CH3(15)+C2H6(47)=CH4(16)+C2H5(48) 8.299000e+14 0.000 22.260 DUPLICATE ! Reaction index: Chemkin #645; RMG #290 ! Library reaction: FFCM1(-) ! Flux pairs: C2H6(47), C2H5(48); O2(2), HO2(10); O2(2)+C2H6(47)=HO2(10)+C2H5(48) 7.290000e+05 2.500 49.160 ! Reaction index: Chemkin #646; RMG #291 ! Library reaction: FFCM1(-) ! Flux pairs: C2H6(47), C2H5(48); HO2(10), H2O2(11); HO2(10)+C2H6(47)=H2O2(11)+C2H5(48) 1.100000e+05 2.500 16.850 ! Reaction index: Chemkin #647; RMG #746 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: C2H5(48), C2H4(24); OH(3), H2O(8); OH(3)+C2H5(48)=H2O(8)+C2H4(24) 2.400000e+13 0.000 0.000 ! Reaction index: Chemkin #648; RMG #748 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: C2H5(48), C2H6(47); HCO(32), CO(30); HCO(32)+C2H5(48)=CO(30)+C2H6(47) 4.300000e+13 0.000 0.000 ! Reaction index: Chemkin #649; RMG #749 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: C2H5(48), C2H6(47); C2H5(48), C2H4(24); C2H5(48)+C2H5(48)=C2H4(24)+C2H6(47) 1.500000e+12 0.000 0.000 ! Reaction index: Chemkin #650; RMG #1068 ! Template reaction: Disproportionation ! Flux pairs: HO2(10), H2O2(11); C2H5(48), C2H4(24); ! Estimated using average of templates [O_rad;Cmethyl_Csrad] + [O_rad/NonDeO;XH_s_Rrad] for rate rule [O_rad/NonDeO;Cmethyl_Csrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation HO2(10)+C2H5(48)=H2O2(11)+C2H4(24) 3.003453e+10 1.009 -0.600 ! Reaction index: Chemkin #651; RMG #1069 ! Template reaction: Disproportionation ! Flux pairs: C2H6N(13), NCC(1); C2H5(48), C2H4(24); ! Estimated using template [C_sec_rad;Cmethyl_Csrad] for rate rule [C_rad/H/NonDeN;Cmethyl_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C2H5(48)+C2H6N(13)=C2H4(24)+NCC(1) 2.423978e+12 -0.233 0.000 ! Reaction index: Chemkin #652; RMG #1070 ! Template reaction: Disproportionation ! From training reaction 6 used for C_rad/H2/Cs;Cmethyl_Csrad ! Exact match found for rate rule [C_rad/H2/Cs;Cmethyl_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C2H5(48)+C2H6N(12)=C2H4(24)+NCC(1) 6.900000e+13 -0.350 0.000 ! Reaction index: Chemkin #653; RMG #1071 ! Template reaction: Disproportionation ! Estimated using template [N3s_rad/H/NonDe;XH_s_Rrad] for rate rule [N3s_rad/H/NonDeC;Cmethyl_Csrad] ! Euclidian distance = 2.23606797749979 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C2H5(48)+C2H6N(14)=C2H4(24)+NCC(1) 4.900204e+05 2.315 0.265 ! Reaction index: Chemkin #654; RMG #1072 ! Template reaction: Disproportionation ! Flux pairs: CH2(T)(35), CH3(15); C2H5(48), C2H4(24); ! Matched reaction 3 CH2 + C2H5 <=> CH3 + C2H4 in Disproportionation/training ! This reaction matched rate rule [CH2_triplet;Cmethyl_Csrad] ! family: Disproportionation CH2(T)(35)+C2H5(48)=CH3(15)+C2H4(24) 9.030000e+13 0.000 0.000 ! Reaction index: Chemkin #655; RMG #1128 ! Template reaction: Disproportionation ! From training reaction 5 used for Y_rad;Cmethyl_Csrad ! Exact match found for rate rule [Y_rad;Cmethyl_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation HCNH(69)+C2H5(48)=CH2NH(25)+C2H4(24) 6.570000e+14 -0.680 0.000 ! Reaction index: Chemkin #656; RMG #1129 ! Template reaction: Disproportionation ! Estimated using template [N3d_rad/C;XH_s_Rrad] for rate rule [N3d_rad/C;Cmethyl_Csrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation H2CN(68)+C2H5(48)=CH2NH(25)+C2H4(24) 4.200000e+04 2.690 -1.610 ! Reaction index: Chemkin #657; RMG #1251 ! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cmethyl_Csrad] for rate rule [Cd_rad/NonDeN;Cmethyl_Csrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C2H4N(150)+C2H5(48)=C2H4(24)+C2H5N(23) 4.560000e+14 -0.700 0.000 ! Reaction index: Chemkin #658; RMG #1252 ! Template reaction: Disproportionation ! From training reaction 11 used for Cd_pri_rad;Cmethyl_Csrad ! Exact match found for rate rule [Cd_pri_rad;Cmethyl_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C2H4N(151)+C2H5(48)=C2H4(24)+C2H5N(23) 4.560000e+14 -0.700 0.000 ! Reaction index: Chemkin #659; RMG #1253 ! Template reaction: Disproportionation ! Estimated using template [N3s_rad_pri;XH_s_Rrad] for rate rule [N3s_rad/H/OneDe;Cmethyl_Csrad] ! Euclidian distance = 2.23606797749979 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C2H4N(21)+C2H5(48)=C2H4(24)+C2H5N(23) 4.900204e+05 2.315 0.265 ! Reaction index: Chemkin #660; RMG #1521 ! Template reaction: Disproportionation ! Estimated using average of templates [Y_rad;Cmethyl_Csrad] + [CO_pri_rad;XH_s_Rrad] for rate rule [CO_pri_rad;Cmethyl_Csrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation HCO(32)+C2H5(48)=CH2O(36)+C2H4(24) 5.972864e+14 -0.340 0.000 ! Reaction index: Chemkin #661; RMG #1647 ! Template reaction: Disproportionation ! Estimated using template [N3d_rad/C;XH_s_Rrad] for rate rule [N3d_rad/C;Cmethyl_Csrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C2H3N(165)+C2H5(48)=C2H4(24)+C2H4N(21) 4.200000e+04 2.690 -1.610 ! Reaction index: Chemkin #662; RMG #1835 ! Template reaction: Disproportionation ! From training reaction 7 used for C_rad/H2/Cd;Cmethyl_Csrad ! Exact match found for rate rule [C_rad/H2/Cd;Cmethyl_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C2H3N(165)+C2H5(48)=C2H4(24)+CH3CHN(22) 6.870000e+13 -0.350 -0.130 ! Reaction index: Chemkin #663; RMG #2588 ! Template reaction: Disproportionation ! From training reaction 7 used for C_rad/H2/Cd;Cmethyl_Csrad ! Exact match found for rate rule [C_rad/H2/Cd;Cmethyl_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C2H4N(21)+C2H5(48)=C2H4(24)+C2H5N(20) 6.870000e+13 -0.350 -0.130 ! Reaction index: Chemkin #664; RMG #2590 ! Template reaction: Disproportionation ! Estimated using template [N3d_rad/C;XH_s_Rrad] for rate rule [N3d_rad/C;Cmethyl_Csrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation CH3CHN(22)+C2H5(48)=C2H4(24)+C2H5N(20) 4.200000e+04 2.690 -1.610 ! Reaction index: Chemkin #665; RMG #2781 ! Template reaction: Disproportionation ! Flux pairs: C2H5(48), C2H6(47); CH2NH2(26), CH2NH(25); ! Estimated using template [Y_rad;N3s/H2_s_Cssrad] for rate rule [C_rad/H2/Cs;N3s/H2_s_Cssrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation CH2NH2(26)+C2H5(48)=CH2NH(25)+C2H6(47) 3.200000e+06 1.870 -0.630 ! Reaction index: Chemkin #666; RMG #2783 ! Template reaction: H_Abstraction ! Flux pairs: NCC(1), C2H6N(13); C2H5(48), C2H6(47); ! Estimated using template [C_sec;C_rad/H2/Cs\H3] for rate rule [C/H2/NonDeN;C_rad/H2/Cs\H3] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction C2H5(48)+NCC(1)=C2H6(47)+C2H6N(13) 5.283771e-04 4.464 4.826 ! Reaction index: Chemkin #667; RMG #2784 ! Template reaction: Disproportionation ! Flux pairs: C2H5(48), C2H6(47); C2H6N(12), C2H5N(23); ! Estimated using an average for rate rule [C_rad/H2/Cs;Cpri_Rrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H5(48)+C2H6N(12)=C2H5N(23)+C2H6(47) 2.900000e+12 0.000 0.000 ! Reaction index: Chemkin #668; RMG #2785 ! Template reaction: Disproportionation ! From training reaction 6 used for C_rad/H2/Cs;Cmethyl_Csrad ! Exact match found for rate rule [C_rad/H2/Cs;Cmethyl_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C2H5(48)+C2H6N(13)=C2H5N(23)+C2H6(47) 6.900000e+13 -0.350 0.000 ! Reaction index: Chemkin #669; RMG #2786 ! Template reaction: H_Abstraction ! Flux pairs: C2H6N(12), NCC(1); C2H6(47), C2H5(48); ! Estimated using an average for rate rule [C/H3/Cs\H3;C_rad/H2/Cs] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 6.0 ! family: H_Abstraction C2H6(47)+C2H6N(12)=C2H5(48)+NCC(1) 3.260601e-04 4.810 8.490 ! Reaction index: Chemkin #670; RMG #2787 ! Template reaction: H_Abstraction ! Flux pairs: NCC(1), C2H6N(14); C2H5(48), C2H6(47); ! Estimated using template [N3s/H2/NonDeC;Cs_rad] for rate rule [N3s/H2/NonDeC;C_rad/H2/Cs\H3] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction C2H5(48)+NCC(1)=C2H6(47)+C2H6N(14) 3.200000e+06 1.870 13.243 ! Reaction index: Chemkin #671; RMG #2792 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(20), C2H4N(21); C2H5(48), C2H6(47); ! Estimated using an average for rate rule [C/H3/OneDe;C_rad/H2/Cs\H3] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction C2H5(48)+C2H5N(20)=C2H4N(21)+C2H6(47) 1.192077e-03 4.340 5.475 ! Reaction index: Chemkin #672; RMG #2794 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(23), C2H4N(21); C2H5(48), C2H6(47); ! Estimated using template [N3s/H2/OneDe;Cs_rad] for rate rule [N3s/H2/OneDe;C_rad/H2/Cs\H3] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction C2H5(48)+C2H5N(23)=C2H4N(21)+C2H6(47) 3.200000e+06 1.870 7.180 ! Reaction index: Chemkin #673; RMG #2796 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(20), CH3CHN(22); C2H5(48), C2H6(47); ! Estimated using template [N3d/H/NonDeC;Cs_rad] for rate rule [N3d/H/NonDeC;C_rad/H2/Cs\H3] ! Euclidian distance = 3.0 ! family: H_Abstraction C2H5(48)+C2H5N(20)=CH3CHN(22)+C2H6(47) 8.200000e+05 1.870 13.433 ! Reaction index: Chemkin #674; RMG #2797 ! Template reaction: Disproportionation ! Flux pairs: C2H5(48), C2H6(47); HCNH(69), HCN(28); ! Estimated using template [Y_rad;N3d/H_d_Crad] for rate rule [C_rad/H2/Cs;N3d/H_d_Crad] ! Euclidian distance = 3.0 ! family: Disproportionation HCNH(69)+C2H5(48)=HCN(28)+C2H6(47) 8.200000e+05 1.870 -1.110 ! Reaction index: Chemkin #675; RMG #2798 ! Template reaction: Disproportionation ! Estimated using template [Y_rad;Cds/H2_d_N3rad] for rate rule [C_rad/H2/Cs;Cds/H2_d_N3rad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation H2CN(68)+C2H5(48)=HCN(28)+C2H6(47) 1.620000e+06 1.870 -1.110 ! Reaction index: Chemkin #676; RMG #2799 ! Template reaction: Disproportionation ! Flux pairs: C2H5(48), C2H6(47); C2H4N(150), CH2CNH(27); ! Estimated using template [Y_rad;N3s/H2_s_Crad] for rate rule [C_rad/H2/Cs;N3s/H2_s_Cdsrad] ! Euclidian distance = 3.1622776601683795 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H4N(150)+C2H5(48)=CH2CNH(27)+C2H6(47) 2.307599e+07 1.790 -0.903 ! Reaction index: Chemkin #677; RMG #2801 ! Template reaction: Disproportionation ! Estimated using template [C_rad/H2/Cs;Cdpri_Rrad] for rate rule [C_rad/H2/Cs;Cdpri_Nrad] ! Euclidian distance = 1.0 ! family: Disproportionation C2H4N(21)+C2H5(48)=CH2CNH(27)+C2H6(47) 9.640000e+11 0.000 6.000 ! Reaction index: Chemkin #678; RMG #2803 ! Template reaction: H_Abstraction ! Flux pairs: C2H4N(21), C2H3N(165); C2H5(48), C2H6(47); ! Estimated using average of templates [X_H;C_rad/H2/Cs\H3] + [N3d/H/NonDe;Cs_rad] for rate rule [N3d/H/NonDe;C_rad/H2/Cs\H3] ! Euclidian distance = 3.0 ! family: H_Abstraction C2H4N(21)+C2H5(48)=C2H3N(165)+C2H6(47) 3.570863e+03 2.529 9.865 ! Reaction index: Chemkin #679; RMG #2804 ! Template reaction: H_Abstraction ! Flux pairs: CH3CHN(22), C2H3N(165); C2H5(48), C2H6(47); ! Estimated using an average for rate rule [C/H3/OneDe;C_rad/H2/Cs\H3] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction CH3CHN(22)+C2H5(48)=C2H3N(165)+C2H6(47) 1.192077e-03 4.340 5.475 ! Reaction index: Chemkin #680; RMG #2807 ! Template reaction: H_Abstraction ! Flux pairs: HCNH(69), CH2NH(25); C2H6(47), C2H5(48); ! From training reaction 291 used for C/H3/Cs\H3;Y_rad ! Exact match found for rate rule [C/H3/Cs\H3;Y_rad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 6.0 ! family: H_Abstraction HCNH(69)+C2H6(47)=CH2NH(25)+C2H5(48) 3.558000e+07 1.800 9.370 ! Reaction index: Chemkin #681; RMG #2808 ! Template reaction: Disproportionation ! Flux pairs: C2H5(48), C2H6(47); C2H6N(13), C2H5N(20); ! Estimated using template [Y_rad;N3s/H2_s_Cssrad] for rate rule [C_rad/H2/Cs;N3s/H2_s_Cssrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H5(48)+C2H6N(13)=C2H5N(20)+C2H6(47) 3.200000e+06 1.870 -0.630 ! Reaction index: Chemkin #682; RMG #2809 ! Template reaction: Disproportionation ! Estimated using template [C_rad/H2/Cs;C/H2/Nd_Rrad] for rate rule [C_rad/H2/Cs;C/H2/Nd_Nrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H5(48)+C2H6N(14)=C2H5N(20)+C2H6(47) 2.900000e+12 0.000 0.000 ! Reaction index: Chemkin #683; RMG #4480 ! PDep reaction: PDepNetwork #157 ! Flux pairs: H(5), C2H6(47); C2H5(48), C2H6(47); H(5)+C2H5(48)(+M)=C2H6(47)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.348e+01 4.844e-01 -6.568e-02 5.069e-03 / CHEB/ -9.861e-01 4.254e-01 1.839e-02 -1.140e-02 / CHEB/ -6.983e-01 1.051e-01 3.434e-02 -6.389e-04 / CHEB/ -3.233e-01 -7.732e-04 1.240e-02 3.727e-03 / CHEB/ -1.401e-01 -1.563e-02 -3.959e-04 1.990e-03 / CHEB/ -5.643e-02 -9.008e-03 -2.744e-03 1.993e-04 / ! Reaction index: Chemkin #684; RMG #3225 ! Template reaction: H_Abstraction ! Flux pairs: CH2NH(25), H2CN(68); C2H5(48), C2H6(47); ! Estimated using template [N3d/H/NonDeC;Cs_rad] for rate rule [N3d/H/NonDeC;C_rad/H2/Cs\H3] ! Euclidian distance = 3.0 ! family: H_Abstraction CH2NH(25)+C2H5(48)=H2CN(68)+C2H6(47) 8.200000e+05 1.870 13.433 ! Reaction index: Chemkin #685; RMG #3387 ! Template reaction: Disproportionation ! Flux pairs: CH(34), CH2(S)(41); C2H5(48), C2H4(24); ! Estimated using template [Y_rad_birad_trirad_quadrad;Cmethyl_Csrad] for rate rule [CH_doublet;Cmethyl_Csrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation CH(34)+C2H5(48)=CH2(S)(41)+C2H4(24) 3.903211e+13 -0.170 7.499 ! Reaction index: Chemkin #686; RMG #3444 ! PDep reaction: PDepNetwork #114 ! Flux pairs: CH4(16), C2H5(48); CH2(S)(41), H(5); CH2(S)(41)+CH4(16)(+M)=H(5)+C2H5(48)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.054e+01 -4.102e-01 -6.549e-02 3.055e-03 / CHEB/ 1.315e+00 4.216e-01 4.311e-02 -1.008e-02 / CHEB/ 3.410e-01 4.254e-02 3.146e-02 4.392e-03 / CHEB/ 7.069e-02 -3.596e-02 -1.275e-04 4.011e-03 / CHEB/ 1.198e-02 -2.022e-02 -7.037e-03 -8.921e-05 / CHEB/ 3.391e-03 -3.064e-03 -3.268e-03 -1.112e-03 / ! Reaction index: Chemkin #687; RMG #3517 ! Template reaction: H_Abstraction ! Flux pairs: CH2(T)(35), CH3(15); C2H6(47), C2H5(48); ! Estimated using template [C/H3/Cs\H3;Y_1centerbirad] for rate rule [C/H3/Cs\H3;CH2_triplet] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 6.0 ! family: H_Abstraction CH2(T)(35)+C2H6(47)=CH3(15)+C2H5(48) 1.157245e+11 0.933 12.427 ! Reaction index: Chemkin #688; RMG #3642 ! Template reaction: H_Abstraction ! Flux pairs: CH2(S)(41), CH(34); C2H5(48), C2H6(47); ! Estimated using template [X_H_or_Xrad_H_Xbirad_H_Xtrirad_H;C_rad/H2/Cs\H3] for rate rule [CH2_singlet_H;C_rad/H2/Cs\H3] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction CH2(S)(41)+C2H5(48)=CH(34)+C2H6(47) 2.488821e+01 3.188 13.946 ! Reaction index: Chemkin #689; RMG #3782 ! Template reaction: Disproportionation ! Estimated using template [Y_rad;CH_d_Rrad] for rate rule [C_rad/H2/Cs;Cds/H/NonDe_d_Rrad] ! Euclidian distance = 3.605551275463989 ! family: Disproportionation CH3CHN(22)+C2H5(48)=CH3CN(29)+C2H6(47) 4.301018e+06 1.908 -1.134 ! Reaction index: Chemkin #690; RMG #4022 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(23), C2H4N(151); C2H5(48), C2H6(47); ! From training reaction 344 used for Cd/H2/NonDeC;C_rad/H2/Cs\H3 ! Exact match found for rate rule [Cd/H2/NonDeC;C_rad/H2/Cs\H3] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction C2H5(48)+C2H5N(23)=C2H4N(151)+C2H6(47) 3.160000e+02 3.130 18.000 ! Reaction index: Chemkin #691; RMG #4271 ! Template reaction: H_Abstraction ! Flux pairs: C2H4N(150), C2H5N(23); C2H6(47), C2H5(48); ! Estimated using template [C/H3/Cs\H3;Cd_sec_rad] for rate rule [C/H3/Cs\H3;Cd_rad/NonDeN] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 6.0 ! family: H_Abstraction C2H4N(150)+C2H6(47)=C2H5(48)+C2H5N(23) 3.446349e-02 4.340 6.889 ! Reaction index: Chemkin #692; RMG #4328 ! PDep reaction: PDepNetwork #15 ! Flux pairs: H(5), C2H5(48); C2H4(24), C2H5(48); H(5)+C2H4(24)(+M)=C2H5(48)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.216e+01 2.587e-01 -2.144e-02 8.637e-04 / CHEB/ 2.099e-01 3.935e-01 -1.834e-02 -1.619e-03 / CHEB/ -3.899e-01 1.862e-01 7.081e-03 -2.145e-03 / CHEB/ -2.185e-01 4.746e-02 1.041e-02 -8.281e-05 / CHEB/ -8.103e-02 -4.271e-03 3.858e-03 8.162e-04 / CHEB/ -1.372e-02 -1.060e-02 -5.197e-04 3.965e-04 / ! Reaction index: Chemkin #693; RMG #4332 ! PDep reaction: PDepNetwork #128 ! Flux pairs: CH2(T)(35), C2H5(48); CH3(15), C2H5(48); CH2(T)(35)+CH3(15)(+M)=C2H5(48)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.013e+01 9.981e-01 -9.093e-04 -3.143e-04 / CHEB/ -4.596e-01 1.799e-03 8.594e-04 2.965e-04 / CHEB/ -1.395e-01 -2.527e-05 -1.139e-05 -3.456e-06 / CHEB/ -1.153e-02 -1.017e-04 -4.867e-05 -1.684e-05 / CHEB/ 2.757e-02 -5.572e-05 -2.672e-05 -9.285e-06 / CHEB/ 2.930e-02 -1.610e-05 -7.749e-06 -2.711e-06 / ! Reaction index: Chemkin #694; RMG #481 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: HCN(28), HNC(87); HCN(28)=HNC(87) 1.000e+00 0.000 0.000 PLOG/ 0.100000 1.500e+23 -4.200 49.459 / PLOG/ 1.000000 1.900e+24 -4.230 49.578 / PLOG/ 10.000000 5.300e+25 -4.340 50.194 / ! Reaction index: Chemkin #695; RMG #888 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: HNC(87), HCN(28); H(5), H(5); H(5)+HNC(87)=H(5)+HCN(28) 7.800000e+13 0.000 3.600 ! Reaction index: Chemkin #696; RMG #932 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: CH3CN(29), CH2CN(124); H(5), H2(7); H(5)+CH3CN(29)=H2(7)+CH2CN(124) 3.000000e+07 2.000 1.000 ! Reaction index: Chemkin #697; RMG #934 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: CH3CN(29), CH2CN(124); OH(3), H2O(8); OH(3)+CH3CN(29)=H2O(8)+CH2CN(124) 2.000000e+07 2.000 2.000 ! Reaction index: Chemkin #698; RMG #943 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: HCN(28), CH2CN(124); CH2(S)(41), H(5); HCN(28)+CH2(S)(41)=H(5)+CH2CN(124) 1.800000e+14 0.000 0.000 ! Reaction index: Chemkin #699; RMG #2006 ! Template reaction: H_Abstraction ! Flux pairs: H(5), H2(7); CH2CNH(27), CH2CN(124); ! Estimated using an average for rate rule [N3d/H/OneDe;H_rad] ! Euclidian distance = 0 ! family: H_Abstraction H(5)+CH2CNH(27)=H2(7)+CH2CN(124) 1.800000e+05 2.400 9.920 ! Reaction index: Chemkin #700; RMG #2010 ! Template reaction: H_Abstraction ! Flux pairs: O(6), OH(3); CH2CNH(27), CH2CN(124); ! Estimated using an average for rate rule [N3d/H/OneDe;O_atom_triplet] ! Euclidian distance = 0 ! family: H_Abstraction O(6)+CH2CNH(27)=OH(3)+CH2CN(124) 3.100000e+06 1.940 20.543 ! Reaction index: Chemkin #701; RMG #2018 ! Template reaction: H_Abstraction ! Flux pairs: HO2(10), H2O2(11); CH2CNH(27), CH2CN(124); ! Estimated using average of templates [N3_H;O_rad/NonDeO] + [N3d/H/OneDe;O_rad] for rate rule [N3d/H/OneDe;O_rad/NonDeO] ! Euclidian distance = 2.0 ! family: H_Abstraction HO2(10)+CH2CNH(27)=H2O2(11)+CH2CN(124) 3.883298e+07 1.330 13.559 ! Reaction index: Chemkin #702; RMG #2028 ! Template reaction: H_Abstraction ! Flux pairs: HO2(10), O2(2); CH2CN(124), CH2CNH(27); ! Estimated using template [X_H;N3d_rad/OneDeC] for rate rule [Orad_O_H;N3d_rad/OneDeC] ! Euclidian distance = 2.0 ! family: H_Abstraction HO2(10)+CH2CN(124)=O2(2)+CH2CNH(27) 5.930153e+06 1.827 6.480 ! Reaction index: Chemkin #703; RMG #2032 ! Template reaction: H_Abstraction ! Flux pairs: OH(3), H2O(8); CH2CNH(27), CH2CN(124); ! Estimated using an average for rate rule [N3d/H/OneDe;O_pri_rad] ! Euclidian distance = 0 ! family: H_Abstraction OH(3)+CH2CNH(27)=H2O(8)+CH2CN(124) 5.200000e+10 -0.030 18.813 ! Reaction index: Chemkin #704; RMG #2037 ! Template reaction: H_Abstraction ! Flux pairs: CH3(15), CH4(16); CH2CNH(27), CH2CN(124); ! Estimated using an average for rate rule [N3d/H/OneDe;C_methyl] ! Euclidian distance = 0 ! family: H_Abstraction CH3(15)+CH2CNH(27)=CH4(16)+CH2CN(124) 1.000000e+12 0.000 13.433 ! Reaction index: Chemkin #705; RMG #2051 ! Template reaction: Disproportionation ! Estimated using template [N3d_rad/C;XH_s_Rrad] for rate rule [N3d_rad/C;Cmethyl_Csrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation CH2CN(124)+C2H5(48)=CH2CNH(27)+C2H4(24) 4.200000e+04 2.690 -1.610 ! Reaction index: Chemkin #706; RMG #2062 ! Template reaction: Disproportionation ! Estimated using template [N3_rad;N3s/H2_s_Rrad] for rate rule [N3d_rad/C;N3s/H2_s_Cssrad] ! Euclidian distance = 2.8284271247461903 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation CH2NH2(26)+CH2CN(124)=CH2NH(25)+CH2CNH(27) 1.819890e+06 1.940 -1.150 ! Reaction index: Chemkin #707; RMG #2074 ! Template reaction: H_Abstraction ! Flux pairs: C2H6N(13), NCC(1); CH2CNH(27), CH2CN(124); ! Estimated using template [N3d/H/OneDe;Cs_rad] for rate rule [N3d/H/OneDe;C_rad/H/NonDeCN] ! Euclidian distance = 2.0 ! family: H_Abstraction CH2CNH(27)+C2H6N(13)=CH2CN(124)+NCC(1) 1.000000e+12 0.000 13.433 ! Reaction index: Chemkin #708; RMG #2085 ! Template reaction: Disproportionation ! Estimated using template [N3d_rad/C;XH_s_Rrad] for rate rule [N3d_rad/C;Cpri_Rrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation CH2CN(124)+C2H6N(12)=CH2CNH(27)+C2H5N(23) 2.800000e+04 2.690 -1.610 ! Reaction index: Chemkin #709; RMG #2087 ! Template reaction: Disproportionation ! Estimated using template [N3d_rad/C;XH_s_Rrad] for rate rule [N3d_rad/C;Cmethyl_Csrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation CH2CN(124)+C2H6N(13)=CH2CNH(27)+C2H5N(23) 4.200000e+04 2.690 -1.610 ! Reaction index: Chemkin #710; RMG #2097 ! Template reaction: H_Abstraction ! Flux pairs: C2H6N(12), NCC(1); CH2CNH(27), CH2CN(124); ! Estimated using template [N3d/H/OneDe;Cs_rad] for rate rule [N3d/H/OneDe;C_rad/H2/Cs] ! Euclidian distance = 2.0 ! family: H_Abstraction CH2CNH(27)+C2H6N(12)=CH2CN(124)+NCC(1) 1.000000e+12 0.000 13.433 ! Reaction index: Chemkin #711; RMG #2108 ! Template reaction: H_Abstraction ! Flux pairs: C2H6N(14), NCC(1); CH2CNH(27), CH2CN(124); ! Estimated using template [N3d/H/OneDe;N3s_rad] for rate rule [N3d/H/OneDe;N3s_rad_pri] ! Euclidian distance = 1.0 ! family: H_Abstraction CH2CNH(27)+C2H6N(14)=CH2CN(124)+NCC(1) 1.000000e+12 0.000 8.940 ! Reaction index: Chemkin #712; RMG #2132 ! Template reaction: H_Abstraction ! Flux pairs: C2H4N(21), C2H5N(20); CH2CNH(27), CH2CN(124); ! Estimated using template [N3d/H/OneDe;Cs_rad] for rate rule [N3d/H/OneDe;C_pri_rad] ! Euclidian distance = 1.0 ! family: H_Abstraction CH2CNH(27)+C2H4N(21)=CH2CN(124)+C2H5N(20) 1.000000e+12 0.000 13.433 ! Reaction index: Chemkin #713; RMG #2136 ! Template reaction: H_Abstraction ! Flux pairs: C2H4N(21), C2H5N(23); CH2CNH(27), CH2CN(124); ! Estimated using template [N3d/H/OneDe;N3s_rad] for rate rule [N3d/H/OneDe;N3s_rad_pri] ! Euclidian distance = 1.0 ! family: H_Abstraction CH2CNH(27)+C2H4N(21)=CH2CN(124)+C2H5N(23) 1.000000e+12 0.000 8.940 ! Reaction index: Chemkin #714; RMG #2146 ! Template reaction: H_Abstraction ! Flux pairs: CH3CHN(22), C2H5N(20); CH2CNH(27), CH2CN(124); ! Estimated using average of templates [N3_H;N3d_rad/OneDe] + [N3d/H/OneDe;N3_rad] for rate rule [N3d/H/OneDe;N3d_rad/OneDe] ! Euclidian distance = 2.0 ! family: H_Abstraction CH2CNH(27)+CH3CHN(22)=CH2CN(124)+C2H5N(20) 1.673320e+08 1.240 8.140 ! Reaction index: Chemkin #715; RMG #2152 ! Template reaction: Disproportionation ! Estimated using template [N3d_rad;N3d/H_d_Rrad] for rate rule [N3d_rad/C;N3d/H_d_Crad] ! Euclidian distance = 1.4142135623730951 ! family: Disproportionation HCNH(69)+CH2CN(124)=HCN(28)+CH2CNH(27) 1.200000e+06 2.000 -1.190 ! Reaction index: Chemkin #716; RMG #2154 ! Template reaction: Disproportionation ! Estimated using template [N3_rad;Cds/H2_d_N3rad] for rate rule [N3d_rad/C;Cds/H2_d_N3rad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation H2CN(68)+CH2CN(124)=HCN(28)+CH2CNH(27) 1.840000e+06 1.940 -1.150 ! Reaction index: Chemkin #717; RMG #2158 ! Template reaction: Disproportionation ! Estimated using template [N3_rad;N3s/H2_s_Rrad] for rate rule [N3d_rad/C;N3s/H2_s_Cdsrad] ! Euclidian distance = 2.8284271247461903 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation CH2CN(124)+C2H4N(150)=CH2CNH(27)+CH2CNH(27) 1.819890e+06 1.940 -1.150 ! Reaction index: Chemkin #718; RMG #2160 ! Template reaction: Disproportionation ! Estimated using template [N3d_rad/C;XH_s_Rrad] for rate rule [N3d_rad/C;Cdpri_Nrad] ! Euclidian distance = 2.0 ! family: Disproportionation CH2CN(124)+C2H4N(21)=CH2CNH(27)+CH2CNH(27) 1.400000e+04 2.690 -1.610 ! Reaction index: Chemkin #719; RMG #4773 ! PDep reaction: PDepNetwork #166 ! Flux pairs: H(5), CH2CNH(27); CH2CN(124), CH2CNH(27); H(5)+CH2CN(124)(+M)=CH2CNH(27)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.336e+01 2.647e-01 -2.684e-02 1.209e-03 / CHEB/ -7.499e-01 3.500e-01 -1.480e-02 -2.710e-03 / CHEB/ -4.906e-01 1.436e-01 6.529e-03 -1.687e-03 / CHEB/ -2.381e-01 3.596e-02 5.852e-03 9.843e-05 / CHEB/ -9.096e-02 7.330e-04 1.451e-03 3.381e-04 / CHEB/ -2.299e-02 -5.742e-03 -3.218e-04 7.574e-05 / ! Reaction index: Chemkin #720; RMG #2181 ! Template reaction: Disproportionation ! Flux pairs: C2H3N(165), CH2CN(124); H(5), H2(7); ! Estimated using an average for rate rule [H_rad;CH_d_Rrad] ! Euclidian distance = 0 ! family: Disproportionation H(5)+C2H3N(165)=H2(7)+CH2CN(124) 3.394113e+08 1.500 -0.890 ! Reaction index: Chemkin #721; RMG #2187 ! Template reaction: Disproportionation ! Flux pairs: C2H3N(165), CH2CN(124); O(6), OH(3); ! Estimated using an average for rate rule [O_atom_triplet;CH_d_Rrad] ! Euclidian distance = 0 ! family: Disproportionation O(6)+C2H3N(165)=OH(3)+CH2CN(124) 1.700000e+08 1.500 -0.890 ! Reaction index: Chemkin #722; RMG #2194 ! Template reaction: Disproportionation ! Flux pairs: C2H3N(165), CH2CN(124); HO2(10), H2O2(11); ! Estimated using an average for rate rule [O_rad/NonDeO;CH_d_Rrad] ! Euclidian distance = 0 ! family: Disproportionation HO2(10)+C2H3N(165)=H2O2(11)+CH2CN(124) 1.400000e+04 2.690 -1.610 ! Reaction index: Chemkin #723; RMG #2207 ! Template reaction: Disproportionation ! Flux pairs: C2H3N(165), CH2CN(124); O2(2), HO2(10); ! Estimated using an average for rate rule [O2b;CH_d_Rrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation O2(2)+C2H3N(165)=HO2(10)+CH2CN(124) 5.200000e+15 -1.260 3.310 ! Reaction index: Chemkin #724; RMG #2210 ! Template reaction: Disproportionation ! Flux pairs: C2H3N(165), CH2CN(124); OH(3), H2O(8); ! Estimated using an average for rate rule [O_pri_rad;CH_d_Rrad] ! Euclidian distance = 0 ! family: Disproportionation OH(3)+C2H3N(165)=H2O(8)+CH2CN(124) 1.697056e+06 2.000 -1.190 ! Reaction index: Chemkin #725; RMG #2215 ! Template reaction: Disproportionation ! Flux pairs: C2H3N(165), CH2CN(124); CH3(15), CH4(16); ! Estimated using template [Y_rad;CH_d_Rrad] for rate rule [C_methyl;CH_d_Rrad] ! Euclidian distance = 2.0 ! family: Disproportionation CH3(15)+C2H3N(165)=CH4(16)+CH2CN(124) 4.301018e+06 1.908 -1.134 ! Reaction index: Chemkin #726; RMG #2253 ! Template reaction: Disproportionation ! Flux pairs: C2H3N(165), CH2CN(124); C2H6N(13), NCC(1); ! Estimated using template [C_sec_rad;XH_Rrad] for rate rule [C_rad/H/NonDeN;CH_d_Rrad] ! Euclidian distance = 2.23606797749979 ! family: Disproportionation C2H3N(165)+C2H6N(13)=CH2CN(124)+NCC(1) 1.741091e+08 0.912 0.576 ! Reaction index: Chemkin #727; RMG #2280 ! Template reaction: Disproportionation ! Flux pairs: C2H3N(165), CH2CN(124); C2H6N(12), NCC(1); ! Estimated using template [C_rad/H2/Cs;XH_Rrad] for rate rule [C_rad/H2/Cs;CH_d_Rrad] ! Euclidian distance = 2.0 ! family: Disproportionation C2H3N(165)+C2H6N(12)=CH2CN(124)+NCC(1) 2.306766e+12 -0.070 1.200 ! Reaction index: Chemkin #728; RMG #2293 ! Template reaction: Disproportionation ! Flux pairs: C2H3N(165), CH2CN(124); C2H6N(14), NCC(1); ! Estimated using template [N3s_rad/H/NonDe;XH_Rrad] for rate rule [N3s_rad/H/NonDeC;CH_d_Rrad] ! Euclidian distance = 2.23606797749979 ! family: Disproportionation C2H3N(165)+C2H6N(14)=CH2CN(124)+NCC(1) 1.633401e+05 2.315 0.265 ! Reaction index: Chemkin #729; RMG #2318 ! Template reaction: Disproportionation ! Flux pairs: C2H3N(165), CH2CN(124); C2H4N(21), C2H5N(20); ! Estimated using template [C_rad/H2/Cd;XH_Rrad] for rate rule [C_rad/H2/Cd;CH_d_Rrad] ! Euclidian distance = 2.0 ! family: Disproportionation C2H3N(165)+C2H4N(21)=CH2CN(124)+C2H5N(20) 2.087826e+12 -0.070 1.122 ! Reaction index: Chemkin #730; RMG #2334 ! Template reaction: Disproportionation ! Flux pairs: C2H3N(165), CH2CN(124); C2H4N(21), C2H5N(23); ! Estimated using template [N3s_rad;CH_d_Rrad] for rate rule [N3s_rad/H/OneDe;CH_d_Rrad] ! Euclidian distance = 2.0 ! family: Disproportionation C2H3N(165)+C2H4N(21)=CH2CN(124)+C2H5N(23) 1.286857e+06 1.940 -1.150 ! Reaction index: Chemkin #731; RMG #2339 ! Template reaction: Disproportionation ! Flux pairs: C2H3N(165), CH2CN(124); CH3CHN(22), C2H5N(20); ! Estimated using template [N3d_rad;XH_d_Rrad] for rate rule [N3d_rad/C;CH_d_Rrad] ! Euclidian distance = 1.4142135623730951 ! family: Disproportionation C2H3N(165)+CH3CHN(22)=CH2CN(124)+C2H5N(20) 1.200000e+06 2.000 -1.190 ! Reaction index: Chemkin #732; RMG #2366 ! Template reaction: H_Abstraction ! Flux pairs: C2H3N(165), C2H4N(21); CH2CNH(27), CH2CN(124); ! Estimated using average of templates [N3_H;N3d_rad/OneDe] + [N3d/H/OneDe;N3_rad] for rate rule [N3d/H/OneDe;N3d_rad/OneDe] ! Euclidian distance = 2.0 ! family: H_Abstraction CH2CNH(27)+C2H3N(165)=CH2CN(124)+C2H4N(21) 1.673320e+08 1.240 8.140 ! Reaction index: Chemkin #733; RMG #2367 ! Template reaction: H_Abstraction ! Flux pairs: C2H3N(165), CH3CHN(22); CH2CNH(27), CH2CN(124); ! Estimated using template [N3d/H/OneDe;Cs_rad] for rate rule [N3d/H/OneDe;C_pri_rad] ! Euclidian distance = 1.0 ! family: H_Abstraction CH2CNH(27)+C2H3N(165)=CH2CN(124)+CH3CHN(22) 1.000000e+12 0.000 13.433 ! Reaction index: Chemkin #734; RMG #2372 ! Template reaction: Disproportionation ! Flux pairs: C2H3N(165), CH2CN(124); C2H3N(165), C2H4N(21); ! Estimated using template [N3d_rad;XH_d_Rrad] for rate rule [N3d_rad/C;CH_d_Rrad] ! Euclidian distance = 1.4142135623730951 ! family: Disproportionation C2H3N(165)+C2H3N(165)=CH2CN(124)+C2H4N(21) 1.200000e+06 2.000 -1.190 ! Reaction index: Chemkin #735; RMG #2373 ! Template reaction: Disproportionation ! Flux pairs: C2H3N(165), CH2CN(124); C2H3N(165), CH3CHN(22); ! Estimated using template [C_rad/H2/Cd;XH_Rrad] for rate rule [C_rad/H2/Cd;CH_d_Rrad] ! Euclidian distance = 2.0 ! family: Disproportionation C2H3N(165)+C2H3N(165)=CH2CN(124)+CH3CHN(22) 2.087826e+12 -0.070 1.122 ! Reaction index: Chemkin #736; RMG #4772 ! PDep reaction: PDepNetwork #166 ! Flux pairs: H(5), C2H3N(165); CH2CN(124), C2H3N(165); H(5)+CH2CN(124)(+M)=C2H3N(165)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.229e+01 3.098e-01 -2.893e-02 5.947e-04 / CHEB/ -3.139e-01 4.040e-01 -1.064e-02 -3.086e-03 / CHEB/ -3.431e-01 1.541e-01 1.041e-02 -1.355e-03 / CHEB/ -2.351e-01 3.119e-02 6.917e-03 4.599e-04 / CHEB/ -9.854e-02 -4.124e-03 1.163e-03 3.810e-04 / CHEB/ -1.324e-02 -8.006e-03 -6.427e-04 4.156e-06 / ! Reaction index: Chemkin #737; RMG #2527 ! Template reaction: H_Abstraction ! Flux pairs: HCNH(69), CH2NH(25); CH2CNH(27), CH2CN(124); ! Estimated using an average for rate rule [N3d/H/OneDe;Y_rad] ! Euclidian distance = 0 ! family: H_Abstraction HCNH(69)+CH2CNH(27)=CH2NH(25)+CH2CN(124) 9.836010e+09 0.593 12.777 ! Reaction index: Chemkin #738; RMG #2529 ! Template reaction: Disproportionation ! Flux pairs: C2H3N(165), CH2CN(124); HCNH(69), CH2NH(25); ! Estimated using an average for rate rule [Y_rad;CH_d_Rrad] ! Euclidian distance = 0 ! family: Disproportionation HCNH(69)+C2H3N(165)=CH2NH(25)+CH2CN(124) 4.301018e+06 1.908 -1.134 ! Reaction index: Chemkin #739; RMG #2666 ! Template reaction: Disproportionation ! Estimated using template [N3_rad;N3s/H2_s_Rrad] for rate rule [N3d_rad/C;N3s/H2_s_Cssrad] ! Euclidian distance = 2.8284271247461903 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation CH2CN(124)+C2H6N(13)=CH2CNH(27)+C2H5N(20) 1.819890e+06 1.940 -1.150 ! Reaction index: Chemkin #740; RMG #2667 ! Template reaction: Disproportionation ! Estimated using template [N3d_rad/C;XH_s_Rrad] for rate rule [N3d_rad/C;C/H2/Nd_Nrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation CH2CN(124)+C2H6N(14)=CH2CNH(27)+C2H5N(20) 2.800000e+04 2.690 -1.610 ! Reaction index: Chemkin #741; RMG #2756 ! Template reaction: CO_Disproportionation ! Flux pairs: CH2CN(124), CH2CNH(27); HCO(32), CO(30); ! Estimated using template [N3d_rad;HCO] for rate rule [N3d_rad/C;HCO] ! Euclidian distance = 1.0 ! family: CO_Disproportionation HCO(32)+CH2CN(124)=CO(30)+CH2CNH(27) 7.100000e+12 0.000 0.000 ! Reaction index: Chemkin #742; RMG #3092 ! Template reaction: H_Abstraction ! Flux pairs: HCO(32), CH2O(36); CH2CNH(27), CH2CN(124); ! Estimated using template [N3d_H;CO_pri_rad] for rate rule [N3d/H/OneDe;CO_pri_rad] ! Euclidian distance = 1.0 ! family: H_Abstraction HCO(32)+CH2CNH(27)=CH2O(36)+CH2CN(124) 5.830000e-01 3.840 0.115 ! Reaction index: Chemkin #743; RMG #3094 ! Template reaction: Disproportionation ! Flux pairs: C2H3N(165), CH2CN(124); HCO(32), CH2O(36); ! Estimated using average of templates [Y_rad;CH_d_Rrad] + [CO_pri_rad;XH_Rrad] for rate rule [CO_pri_rad;CH_d_Rrad] ! Euclidian distance = 2.0 ! family: Disproportionation HCO(32)+C2H3N(165)=CH2O(36)+CH2CN(124) 2.790133e+10 0.954 -0.567 ! Reaction index: Chemkin #744; RMG #3202 ! Template reaction: H_Abstraction ! Flux pairs: H2CN(68), CH2NH(25); CH2CNH(27), CH2CN(124); ! Estimated using average of templates [N3_H;N3d_rad/OneDe] + [N3d/H/OneDe;N3_rad] for rate rule [N3d/H/OneDe;N3d_rad/OneDe] ! Euclidian distance = 2.0 ! family: H_Abstraction H2CN(68)+CH2CNH(27)=CH2NH(25)+CH2CN(124) 1.673320e+08 1.240 8.140 ! Reaction index: Chemkin #745; RMG #3204 ! Template reaction: Disproportionation ! Flux pairs: C2H3N(165), CH2CN(124); H2CN(68), CH2NH(25); ! Estimated using template [N3d_rad;XH_d_Rrad] for rate rule [N3d_rad/C;CH_d_Rrad] ! Euclidian distance = 1.4142135623730951 ! family: Disproportionation H2CN(68)+C2H3N(165)=CH2NH(25)+CH2CN(124) 1.200000e+06 2.000 -1.190 ! Reaction index: Chemkin #746; RMG #3501 ! Template reaction: H_Abstraction ! Flux pairs: CH2(T)(35), CH3(15); CH2CNH(27), CH2CN(124); ! Estimated using template [N3d/H/OneDe;Y_1centerbirad] for rate rule [N3d/H/OneDe;CH2_triplet] ! Euclidian distance = 1.0 ! family: H_Abstraction CH2(T)(35)+CH2CNH(27)=CH3(15)+CH2CN(124) 4.405224e+09 1.880 22.200 ! Reaction index: Chemkin #747; RMG #3503 ! Template reaction: Disproportionation ! Flux pairs: C2H3N(165), CH2CN(124); CH2(T)(35), CH3(15); ! Estimated using template [Y_1centerbirad;CH_d_Rrad] for rate rule [CH2_triplet;CH_d_Rrad] ! Euclidian distance = 1.0 ! family: Disproportionation CH2(T)(35)+C2H3N(165)=CH3(15)+CH2CN(124) 1.700000e+08 1.500 -0.890 ! Reaction index: Chemkin #748; RMG #3558 ! PDep reaction: PDepNetwork #136 ! Flux pairs: HCN(28), CH2CN(124); CH2(T)(35), H(5); HCN(28)+CH2(T)(35)(+M)=H(5)+CH2CN(124)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 8.816e+00 -5.716e-02 -2.490e-02 -7.097e-03 / CHEB/ -7.140e-01 4.047e-02 1.745e-02 4.844e-03 / CHEB/ -6.731e-01 1.551e-02 6.593e-03 1.786e-03 / CHEB/ -2.209e-01 1.342e-04 1.725e-04 1.242e-04 / CHEB/ -8.140e-02 -2.162e-03 -8.620e-04 -1.966e-04 / CHEB/ -3.223e-02 -1.865e-03 -7.817e-04 -2.048e-04 / ! Reaction index: Chemkin #749; RMG #3625 ! Template reaction: H_Abstraction ! Flux pairs: CH(34), CH2(S)(41); CH2CNH(27), CH2CN(124); ! Estimated using template [N3d/H/OneDe;Y_rad_birad_trirad_quadrad] for rate rule [N3d/H/OneDe;CH_doublet] ! Euclidian distance = 2.0 ! family: H_Abstraction CH(34)+CH2CNH(27)=CH2(S)(41)+CH2CN(124) 6.582540e+09 1.236 17.488 ! Reaction index: Chemkin #750; RMG #3627 ! Template reaction: Disproportionation ! Flux pairs: C2H3N(165), CH2CN(124); CH(34), CH2(S)(41); ! Estimated using template [Y_rad_birad_trirad_quadrad;CH_d_Rrad] for rate rule [CH_doublet;CH_d_Rrad] ! Euclidian distance = 2.0 ! family: Disproportionation CH(34)+C2H3N(165)=CH2(S)(41)+CH2CN(124) 1.123371e+10 0.719 0.427 ! Reaction index: Chemkin #751; RMG #3675 ! Template reaction: H_Abstraction ! Flux pairs: O(6), OH(3); CH3CN(29), CH2CN(124); ! Estimated using template [C/H3/OneDe;O_atom_triplet] for rate rule [C/H3/Ct;O_atom_triplet] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction O(6)+CH3CN(29)=OH(3)+CH2CN(124) 7.880000e-03 4.293 11.251 ! Reaction index: Chemkin #752; RMG #3679 ! Template reaction: H_Abstraction ! Flux pairs: H2O2(11), HO2(10); CH2CN(124), CH3CN(29); ! Estimated using template [H2O2;C_pri_rad] for rate rule [H2O2;C_rad/H2/Ct] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction H2O2(11)+CH2CN(124)=HO2(10)+CH3CN(29) 1.764424e-01 3.774 5.502 ! Reaction index: Chemkin #753; RMG #3684 ! Template reaction: H_Abstraction ! Flux pairs: HO2(10), O2(2); CH2CN(124), CH3CN(29); ! Estimated using template [X_H;C_rad/H2/Ct] for rate rule [Orad_O_H;C_rad/H2/Ct] ! Euclidian distance = 2.0 ! family: H_Abstraction HO2(10)+CH2CN(124)=O2(2)+CH3CN(29) 6.774283e-02 4.024 17.816 ! Reaction index: Chemkin #754; RMG #3687 ! Template reaction: H_Abstraction ! Flux pairs: CH3(15), CH4(16); CH3CN(29), CH2CN(124); ! From training reaction 1215 used for C/H3/Ct;C_methyl ! Exact match found for rate rule [C/H3/Ct;C_methyl] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction CH3(15)+CH3CN(29)=CH4(16)+CH2CN(124) 1.923000e-02 4.340 5.200 ! Reaction index: Chemkin #755; RMG #3695 ! Template reaction: Disproportionation ! Estimated using template [C_pri_rad;Cmethyl_Csrad] for rate rule [C_rad/H2/Ct;Cmethyl_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation CH2CN(124)+C2H5(48)=CH3CN(29)+C2H4(24) 3.450974e+13 -0.233 -0.043 ! Reaction index: Chemkin #756; RMG #3700 ! Template reaction: Disproportionation ! Estimated using template [Y_rad;N3s/H2_s_Cssrad] for rate rule [C_rad/H2/Ct;N3s/H2_s_Cssrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation CH2NH2(26)+CH2CN(124)=CH2NH(25)+CH3CN(29) 3.200000e+06 1.870 -0.630 ! Reaction index: Chemkin #757; RMG #3708 ! Template reaction: H_Abstraction ! Flux pairs: NCC(1), C2H6N(13); CH2CN(124), CH3CN(29); ! Estimated using template [C_sec;C_rad/H2/Ct] for rate rule [C/H2/NonDeN;C_rad/H2/Ct] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction CH2CN(124)+NCC(1)=CH3CN(29)+C2H6N(13) 5.687279e-03 4.327 10.662 ! Reaction index: Chemkin #758; RMG #3714 ! Template reaction: Disproportionation ! Estimated using template [C_pri_rad;Cpri_Rrad] for rate rule [C_rad/H2/Ct;Cpri_Rrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation CH2CN(124)+C2H6N(12)=CH3CN(29)+C2H5N(23) 2.008897e+12 0.000 -0.043 ! Reaction index: Chemkin #759; RMG #3715 ! Template reaction: Disproportionation ! Estimated using template [C_pri_rad;Cmethyl_Csrad] for rate rule [C_rad/H2/Ct;Cmethyl_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation CH2CN(124)+C2H6N(13)=CH3CN(29)+C2H5N(23) 3.450974e+13 -0.233 -0.043 ! Reaction index: Chemkin #760; RMG #3722 ! Template reaction: H_Abstraction ! Flux pairs: C2H6N(12), NCC(1); CH3CN(29), CH2CN(124); ! Estimated using an average for rate rule [C/H3/Ct;C_rad/H2/Cs] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction CH3CN(29)+C2H6N(12)=CH2CN(124)+NCC(1) 2.709000e-03 4.340 5.500 ! Reaction index: Chemkin #761; RMG #3729 ! Template reaction: H_Abstraction ! Flux pairs: C2H6N(14), NCC(1); CH3CN(29), CH2CN(124); ! Estimated using template [C/H3/Ct;N3s_rad] for rate rule [C/H3/Ct;N3s_rad_pri] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction CH3CN(29)+C2H6N(14)=CH2CN(124)+NCC(1) 4.970000e+13 0.000 8.510 ! Reaction index: Chemkin #762; RMG #3741 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(20), C2H4N(21); CH2CN(124), CH3CN(29); ! Estimated using an average for rate rule [C/H3/OneDe;C_rad/H2/Ct] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction CH2CN(124)+C2H5N(20)=CH3CN(29)+C2H4N(21) 3.795134e-03 4.340 11.300 ! Reaction index: Chemkin #763; RMG #3743 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(23), C2H4N(21); CH2CN(124), CH3CN(29); ! Estimated using template [N3s/H2/OneDe;Cs_rad] for rate rule [N3s/H2/OneDe;C_rad/H2/Ct] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction CH2CN(124)+C2H5N(23)=CH3CN(29)+C2H4N(21) 3.200000e+06 1.870 7.180 ! Reaction index: Chemkin #764; RMG #3748 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(20), CH3CHN(22); CH2CN(124), CH3CN(29); ! Estimated using template [N3d/H/NonDeC;Cs_rad] for rate rule [N3d/H/NonDeC;C_rad/H2/Ct] ! Euclidian distance = 2.0 ! family: H_Abstraction CH2CN(124)+C2H5N(20)=CH3CN(29)+CH3CHN(22) 8.200000e+05 1.870 13.433 ! Reaction index: Chemkin #765; RMG #3751 ! Template reaction: Disproportionation ! Estimated using template [Y_rad;N3d/H_d_Crad] for rate rule [C_rad/H2/Ct;N3d/H_d_Crad] ! Euclidian distance = 3.0 ! family: Disproportionation HCNH(69)+CH2CN(124)=HCN(28)+CH3CN(29) 8.200000e+05 1.870 -1.110 ! Reaction index: Chemkin #766; RMG #3752 ! Template reaction: Disproportionation ! Estimated using template [Y_rad;Cds/H2_d_N3rad] for rate rule [C_rad/H2/Ct;Cds/H2_d_N3rad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation H2CN(68)+CH2CN(124)=HCN(28)+CH3CN(29) 1.620000e+06 1.870 -1.110 ! Reaction index: Chemkin #767; RMG #3756 ! Template reaction: Disproportionation ! Estimated using template [N3_rad;CH_d_Rrad] for rate rule [N3d_rad/C;Cds/H/NonDe_d_Rrad] ! Euclidian distance = 2.8284271247461903 ! family: Disproportionation CH2CN(124)+CH3CHN(22)=CH2CNH(27)+CH3CN(29) 1.286857e+06 1.940 -1.150 ! Reaction index: Chemkin #768; RMG #3757 ! Template reaction: Disproportionation ! Estimated using template [Y_rad;N3s/H2_s_Crad] for rate rule [C_rad/H2/Ct;N3s/H2_s_Cdsrad] ! Euclidian distance = 3.1622776601683795 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation CH2CN(124)+C2H4N(150)=CH2CNH(27)+CH3CN(29) 2.307599e+07 1.790 -0.903 ! Reaction index: Chemkin #769; RMG #3759 ! Template reaction: Disproportionation ! Estimated using template [C_pri_rad;Cdpri_Rrad] for rate rule [C_rad/H2/Ct;Cdpri_Nrad] ! Euclidian distance = 1.4142135623730951 ! family: Disproportionation CH2CN(124)+C2H4N(21)=CH2CNH(27)+CH3CN(29) 2.850705e+11 0.000 6.000 ! Reaction index: Chemkin #770; RMG #3765 ! Template reaction: H_Abstraction ! Flux pairs: C2H4N(21), C2H3N(165); CH2CN(124), CH3CN(29); ! Estimated using template [N3d/H/NonDe;Cs_rad] for rate rule [N3d/H/NonDe;C_rad/H2/Ct] ! Euclidian distance = 2.0 ! family: H_Abstraction CH2CN(124)+C2H4N(21)=CH3CN(29)+C2H3N(165) 1.024667e+06 1.870 5.784 ! Reaction index: Chemkin #771; RMG #3766 ! Template reaction: H_Abstraction ! Flux pairs: CH3CHN(22), C2H3N(165); CH2CN(124), CH3CN(29); ! Estimated using an average for rate rule [C/H3/OneDe;C_rad/H2/Ct] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction CH2CN(124)+CH3CHN(22)=CH3CN(29)+C2H3N(165) 3.795134e-03 4.340 11.300 ! Reaction index: Chemkin #772; RMG #3773 ! Template reaction: H_Abstraction ! Flux pairs: HCNH(69), CH2NH(25); CH3CN(29), CH2CN(124); ! Estimated using an average for rate rule [C/H3/Ct;Y_rad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction HCNH(69)+CH3CN(29)=CH2NH(25)+CH2CN(124) 4.822588e+02 3.145 5.350 ! Reaction index: Chemkin #773; RMG #3778 ! Template reaction: Disproportionation ! Estimated using template [Y_rad;N3s/H2_s_Cssrad] for rate rule [C_rad/H2/Ct;N3s/H2_s_Cssrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation CH2CN(124)+C2H6N(13)=CH3CN(29)+C2H5N(20) 3.200000e+06 1.870 -0.630 ! Reaction index: Chemkin #774; RMG #3779 ! Template reaction: Disproportionation ! Estimated using template [C_pri_rad;C/H2/Nd_Rrad] for rate rule [C_rad/H2/Ct;C/H2/Nd_Nrad] ! Euclidian distance = 1.4142135623730951 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation CH2CN(124)+C2H6N(14)=CH3CN(29)+C2H5N(20) 2.008897e+12 0.000 -0.043 ! Reaction index: Chemkin #775; RMG #3780 ! Template reaction: CO_Disproportionation ! Flux pairs: CH2CN(124), CH3CN(29); HCO(32), CO(30); ! Estimated using template [C_pri_rad;HCO] for rate rule [C_rad/H2/Ct;HCO] ! Euclidian distance = 1.0 ! family: CO_Disproportionation HCO(32)+CH2CN(124)=CO(30)+CH3CN(29) 2.073644e+13 0.000 0.000 ! Reaction index: Chemkin #776; RMG #3793 ! Template reaction: H_Abstraction ! Flux pairs: CH2O(36), HCO(32); CH2CN(124), CH3CN(29); ! Estimated using template [CO_pri;C_pri_rad] for rate rule [CO_pri;C_rad/H2/Ct] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction CH2O(36)+CH2CN(124)=HCO(32)+CH3CN(29) 1.298364e+01 3.380 9.040 ! Reaction index: Chemkin #777; RMG #3797 ! Template reaction: H_Abstraction ! Flux pairs: CH2NH(25), H2CN(68); CH2CN(124), CH3CN(29); ! Estimated using template [N3d/H/NonDeC;Cs_rad] for rate rule [N3d/H/NonDeC;C_rad/H2/Ct] ! Euclidian distance = 2.0 ! family: H_Abstraction CH2NH(25)+CH2CN(124)=H2CN(68)+CH3CN(29) 8.200000e+05 1.870 13.433 ! Reaction index: Chemkin #778; RMG #3804 ! Template reaction: H_Abstraction ! Flux pairs: CH2(T)(35), CH3(15); CH3CN(29), CH2CN(124); ! Estimated using template [C/H3/OneDe;Y_1centerbirad] for rate rule [C/H3/Ct;CH2_triplet] ! Euclidian distance = 1.4142135623730951 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction CH2(T)(35)+CH3CN(29)=CH3(15)+CH2CN(124) 7.880000e-03 4.293 11.251 ! Reaction index: Chemkin #779; RMG #3807 ! Template reaction: H_Abstraction ! Flux pairs: CH2(S)(41), CH(34); CH2CN(124), CH3CN(29); ! Estimated using template [X_H_or_Xrad_H_Xbirad_H_Xtrirad_H;C_rad/H2/Ct] for rate rule [CH2_singlet_H;C_rad/H2/Ct] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction CH2(S)(41)+CH2CN(124)=CH(34)+CH3CN(29) 1.354857e-01 4.024 17.816 ! Reaction index: Chemkin #780; RMG #3809 ! Template reaction: Disproportionation ! Estimated using template [Y_rad;CH_d_Rrad] for rate rule [C_rad/H2/Ct;Cds/H/NonDe_d_Rrad] ! Euclidian distance = 3.605551275463989 ! family: Disproportionation CH2CN(124)+CH3CHN(22)=CH3CN(29)+CH3CN(29) 4.301018e+06 1.908 -1.134 ! Reaction index: Chemkin #781; RMG #4784 ! PDep reaction: PDepNetwork #169 ! Flux pairs: H(5), CH3CN(29); CH2CN(124), CH3CN(29); H(5)+CH2CN(124)(+M)=CH3CN(29)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.374e+01 1.799e-01 -1.674e-02 7.208e-04 / CHEB/ -5.609e-01 2.905e-01 -1.934e-02 -4.916e-04 / CHEB/ -4.037e-01 1.613e-01 -3.847e-04 -1.551e-03 / CHEB/ -2.369e-01 6.172e-02 6.292e-03 -6.094e-04 / CHEB/ -1.204e-01 1.413e-02 4.195e-03 2.983e-04 / CHEB/ -5.520e-02 1.727e-05 1.084e-03 3.692e-04 / ! Reaction index: Chemkin #782; RMG #3980 ! Template reaction: H_Abstraction ! Flux pairs: C2H4N(151), C2H5N(23); CH2CNH(27), CH2CN(124); ! Estimated using template [N3d/H/OneDe;Y_rad] for rate rule [N3d/H/OneDe;Cd_pri_rad] ! Euclidian distance = 2.0 ! family: H_Abstraction CH2CNH(27)+C2H4N(151)=CH2CN(124)+C2H5N(23) 9.836010e+09 0.593 12.777 ! Reaction index: Chemkin #783; RMG #3984 ! Template reaction: Disproportionation ! Flux pairs: C2H3N(165), CH2CN(124); C2H4N(151), C2H5N(23); ! Estimated using average of templates [Y_rad;CH_d_Rrad] + [Cd_pri_rad;XH_Rrad] for rate rule [Cd_pri_rad;CH_d_Rrad] ! Euclidian distance = 2.0 ! family: Disproportionation C2H3N(165)+C2H4N(151)=CH2CN(124)+C2H5N(23) 5.270959e+09 0.884 0.033 ! Reaction index: Chemkin #784; RMG #4070 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(23), C2H4N(151); CH2CN(124), CH3CN(29); ! From training reaction 1575 used for Cd/H2/NonDeC;C_rad/H2/Ct ! Exact match found for rate rule [Cd/H2/NonDeC;C_rad/H2/Ct] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction CH2CN(124)+C2H5N(23)=CH3CN(29)+C2H4N(151) 2.360000e-02 4.340 28.420 ! Reaction index: Chemkin #785; RMG #4241 ! Template reaction: H_Abstraction ! Flux pairs: C2H4N(150), C2H5N(23); CH2CNH(27), CH2CN(124); ! Estimated using template [N3d/H/OneDe;Y_rad] for rate rule [N3d/H/OneDe;Cd_rad/NonDeN] ! Euclidian distance = 3.0 ! family: H_Abstraction CH2CNH(27)+C2H4N(150)=CH2CN(124)+C2H5N(23) 9.836010e+09 0.593 12.777 ! Reaction index: Chemkin #786; RMG #4245 ! Template reaction: Disproportionation ! Flux pairs: C2H3N(165), CH2CN(124); C2H4N(150), C2H5N(23); ! Estimated using template [Cd_rad;XH_Rrad] for rate rule [Cd_rad/NonDeN;CH_d_Rrad] ! Euclidian distance = 2.8284271247461903 ! family: Disproportionation C2H3N(165)+C2H4N(150)=CH2CN(124)+C2H5N(23) 6.459636e+12 -0.140 1.200 ! Reaction index: Chemkin #787; RMG #4305 ! Template reaction: H_Abstraction ! Flux pairs: C2H4N(150), C2H5N(23); CH3CN(29), CH2CN(124); ! Estimated using template [C/H3/Ct;Cd_sec_rad] for rate rule [C/H3/Ct;Cd_rad/NonDeN] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction CH3CN(29)+C2H4N(150)=CH2CN(124)+C2H5N(23) 1.143050e-02 4.340 2.856 ! Reaction index: Chemkin #788; RMG #4416 ! Template reaction: H_Abstraction ! Flux pairs: C2H5(48), C2H6(47); CH2CNH(27), CH2CN(124); ! Estimated using average of templates [X_H;C_rad/H2/Cs\H3] + [N3d/H/OneDe;Cs_rad] for rate rule [N3d/H/OneDe;C_rad/H2/Cs\H3] ! Euclidian distance = 3.0 ! family: H_Abstraction CH2CNH(27)+C2H5(48)=CH2CN(124)+C2H6(47) 3.527620e+06 1.594 13.689 ! Reaction index: Chemkin #789; RMG #4418 ! Template reaction: Disproportionation ! Flux pairs: C2H3N(165), CH2CN(124); C2H5(48), C2H6(47); ! Estimated using template [C_rad/H2/Cs;XH_Rrad] for rate rule [C_rad/H2/Cs;CH_d_Rrad] ! Euclidian distance = 2.0 ! family: Disproportionation C2H3N(165)+C2H5(48)=CH2CN(124)+C2H6(47) 2.306766e+12 -0.070 1.200 ! Reaction index: Chemkin #790; RMG #4464 ! Template reaction: H_Abstraction ! Flux pairs: C2H5(48), C2H6(47); CH3CN(29), CH2CN(124); ! From training reaction 1216 used for C/H3/Ct;C_rad/H2/Cs\H3 ! Exact match found for rate rule [C/H3/Ct;C_rad/H2/Cs\H3] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction CH3CN(29)+C2H5(48)=CH2CN(124)+C2H6(47) 2.709000e-03 4.340 5.500 ! Reaction index: Chemkin #791; RMG #4626 ! Template reaction: Disproportionation ! Estimated using template [N3d_rad/C;XH_s_Rrad] for rate rule [N3d_rad/C;Cdpri_Csrad] ! Euclidian distance = 2.0 ! family: Disproportionation CH2CN(124)+C2H3N(165)=CH2CN(124)+CH2CNH(27) 1.400000e+04 2.690 -1.610 ! Reaction index: Chemkin #792; RMG #4633 ! Template reaction: H_Abstraction ! Flux pairs: CH2CN(124), CH3CN(29); CH2CNH(27), CH2CN(124); ! Estimated using template [N3d/H/OneDe;Cs_rad] for rate rule [N3d/H/OneDe;C_rad/H2/Ct] ! Euclidian distance = 2.0 ! family: H_Abstraction CH2CN(124)+CH2CNH(27)=CH2CN(124)+CH3CN(29) 1.000000e+12 0.000 13.433 ! Reaction index: Chemkin #793; RMG #4643 ! Template reaction: Disproportionation ! Flux pairs: C2H3N(165), CH2CN(124); CH2CN(124), CH3CN(29); ! Estimated using template [C_pri_rad;XH_Rrad] for rate rule [C_rad/H2/Ct;CH_d_Rrad] ! Euclidian distance = 2.23606797749979 ! family: Disproportionation CH2CN(124)+C2H3N(165)=CH2CN(124)+CH3CN(29) 1.732852e+12 -0.047 0.837 ! Reaction index: Chemkin #794; RMG #370 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: CH3(15), CH2NH(25); NH(T)(59), H(5); NH(T)(59)+CH3(15)=H(5)+CH2NH(25) 4.000000e+13 0.000 0.000 ! Reaction index: Chemkin #795; RMG #486 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: HCN(28), CO(30); O(6), NH(T)(59); O(6)+HCN(28)=NH(T)(59)+CO(30) 5.400000e+08 1.210 7.487 ! Reaction index: Chemkin #796; RMG #489 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: HNC(87), CO(30); O(6), NH(T)(59); O(6)+HNC(87)=NH(T)(59)+CO(30) 4.600000e+12 0.000 2.184 ! Reaction index: Chemkin #797; RMG #535 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: CH2NH(25), CH2O(36); O(6), NH(T)(59); O(6)+CH2NH(25)=NH(T)(59)+CH2O(36) 1.700000e+06 2.080 0.000 ! Reaction index: Chemkin #798; RMG #4943 ! PDep reaction: PDepNetwork #186 ! Flux pairs: C2H5(48), CH2NH(25); NH(T)(59), CH3(15); NH(T)(59)+C2H5(48)(+M)=CH3(15)+CH2NH(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.264e+01 -1.926e-02 -7.221e-03 -1.788e-03 / CHEB/ -3.765e-01 -1.041e-02 -2.515e-03 6.779e-05 / CHEB/ -5.759e-01 2.717e-03 8.611e-04 3.659e-04 / CHEB/ -1.670e-01 2.101e-03 -1.160e-03 -8.994e-04 / CHEB/ -8.966e-02 3.343e-03 -9.914e-05 -5.806e-04 / CHEB/ -5.037e-02 2.069e-03 9.862e-04 1.249e-04 / ! Reaction index: Chemkin #799; RMG #4940 ! PDep reaction: PDepNetwork #186 ! Flux pairs: NH(T)(59), C2H6N(13); C2H5(48), C2H6N(13); NH(T)(59)+C2H5(48)(+M)=C2H6N(13)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.075e+01 8.499e-01 -4.906e-02 -7.971e-03 / CHEB/ 1.549e+00 -1.123e-01 -3.311e-02 -3.403e-03 / CHEB/ -7.896e-01 1.138e-01 3.321e-02 3.530e-03 / CHEB/ -2.854e-01 1.206e-01 2.728e-02 -1.129e-03 / CHEB/ -4.040e-02 1.091e-02 -9.948e-04 -1.871e-03 / CHEB/ 2.574e-02 -4.921e-02 -8.286e-03 1.994e-03 / ! Reaction index: Chemkin #800; RMG #4941 ! PDep reaction: PDepNetwork #186 ! Flux pairs: NH(T)(59), C2H6N(12); C2H5(48), C2H6N(12); NH(T)(59)+C2H5(48)(+M)=C2H6N(12)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.051e+01 9.735e-01 -1.067e-02 -2.958e-03 / CHEB/ -7.162e-02 -2.972e-03 9.977e-04 1.251e-03 / CHEB/ -2.705e-01 1.086e-03 1.050e-04 1.209e-04 / CHEB/ 4.672e-02 1.417e-03 -1.482e-03 -1.008e-03 / CHEB/ 1.607e-02 3.163e-03 -1.768e-04 -6.031e-04 / CHEB/ -2.018e-02 2.050e-03 9.853e-04 1.285e-04 / ! Reaction index: Chemkin #801; RMG #4939 ! PDep reaction: PDepNetwork #186 ! Flux pairs: NH(T)(59), C2H6N(14); C2H5(48), C2H6N(14); NH(T)(59)+C2H5(48)(+M)=C2H6N(14)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.122e+01 9.801e-01 -7.401e-03 -1.811e-03 / CHEB/ -1.046e-01 -1.141e-02 -2.770e-03 5.429e-05 / CHEB/ -3.732e-01 2.085e-03 6.681e-04 3.622e-04 / CHEB/ 4.710e-04 1.679e-03 -1.366e-03 -9.312e-04 / CHEB/ 1.988e-02 3.141e-03 -2.618e-04 -6.318e-04 / CHEB/ 1.354e-03 2.081e-03 9.263e-04 8.110e-05 / ! Reaction index: Chemkin #802; RMG #4942 ! PDep reaction: PDepNetwork #186 ! Flux pairs: C2H5(48), C2H5N(20); NH(T)(59), H(5); NH(T)(59)+C2H5(48)(+M)=H(5)+C2H5N(20)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.187e+01 -9.016e-02 -2.724e-02 -3.154e-03 / CHEB/ -2.135e+00 -7.439e-02 -2.157e-02 -1.911e-03 / CHEB/ -1.024e+00 6.813e-02 1.613e-02 -5.708e-04 / CHEB/ -4.628e-01 9.381e-02 2.126e-02 -1.216e-03 / CHEB/ -2.174e-01 2.219e-02 5.781e-03 4.116e-04 / CHEB/ -5.647e-02 -3.840e-02 -5.453e-03 2.381e-03 / ! Reaction index: Chemkin #803; RMG #6547 ! PDep reaction: PDepNetwork #175 ! Flux pairs: NH(T)(59), C2H5N(23); C2H4(24), C2H5N(23); NH(T)(59)+C2H4(24)(+M)=C2H5N(23)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.116e+01 -3.482e-02 -4.888e-02 7.848e-03 / CHEB/ 6.445e-01 4.440e-01 -2.660e-02 -8.443e-03 / CHEB/ -1.789e-01 2.130e-01 1.216e-02 3.259e-03 / CHEB/ -2.285e-01 5.541e-02 3.342e-03 1.001e-03 / CHEB/ -1.367e-01 3.122e-03 -2.773e-04 -1.534e-03 / CHEB/ -6.006e-02 -9.172e-03 1.521e-03 -6.085e-04 / ! Reaction index: Chemkin #804; RMG #3546 ! PDep reaction: PDepNetwork #129 ! Flux pairs: CH2NH2(26), C2H5(48); CH2(T)(35), NH(T)(59); CH2(T)(35)+CH2NH2(26)(+M)=NH(T)(59)+C2H5(48)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 9.818e+00 -1.036e-02 -4.515e-03 -1.331e-03 / CHEB/ 1.199e+00 8.852e-05 4.811e-04 3.993e-04 / CHEB/ 6.108e-02 2.723e-03 9.432e-04 1.528e-04 / CHEB/ 3.260e-02 3.551e-03 9.719e-04 -3.062e-05 / CHEB/ -4.258e-02 2.485e-03 8.448e-04 1.073e-04 / CHEB/ -4.702e-02 -4.108e-04 1.153e-04 1.778e-04 / ! Reaction index: Chemkin #805; RMG #4933 ! PDep reaction: PDepNetwork #166 ! Flux pairs: CH2CN(124), C2H2(39); H(5), NH(T)(59); H(5)+CH2CN(124)(+M)=NH(T)(59)+C2H2(39)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.113e+00 -9.582e-03 -4.558e-03 -1.559e-03 / CHEB/ 9.924e+00 4.040e-03 1.919e-03 6.543e-04 / CHEB/ 2.606e-03 1.645e-03 7.793e-04 2.642e-04 / CHEB/ -1.509e-02 -5.238e-04 -2.468e-04 -8.274e-05 / CHEB/ -7.784e-03 -3.503e-04 -1.659e-04 -5.621e-05 / CHEB/ -2.559e-03 -2.353e-04 -1.114e-04 -3.775e-05 / ! Reaction index: Chemkin #806; RMG #5242 ! PDep reaction: PDepNetwork #187 ! Flux pairs: C2H3N(178), CH2CNH(27); C2H3N(178)(+M)=CH2CNH(27)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 7.519e+00 8.654e-01 -3.928e-02 -5.754e-03 / CHEB/ 2.060e+00 1.572e-01 2.667e-02 2.487e-03 / CHEB/ -1.957e-01 4.342e-02 7.890e-03 1.812e-03 / CHEB/ -1.477e-01 2.375e-02 2.101e-03 4.861e-04 / CHEB/ -1.243e-01 1.050e-02 -1.009e-03 -1.139e-04 / CHEB/ -7.594e-02 1.607e-03 -1.365e-03 -2.635e-04 / ! Reaction index: Chemkin #807; RMG #5225 ! PDep reaction: PDepNetwork #187 ! Flux pairs: C2H3N(178), C2H3N(165); C2H3N(178)(+M)=C2H3N(165)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 8.163e+00 1.070e+00 1.487e-02 1.222e-03 / CHEB/ 4.544e-01 1.050e-01 2.265e-02 2.302e-03 / CHEB/ -4.173e-01 5.224e-02 9.971e-03 1.479e-03 / CHEB/ -2.448e-01 2.171e-02 1.342e-03 3.967e-04 / CHEB/ -1.504e-01 1.185e-02 -1.993e-03 -4.125e-04 / CHEB/ -6.351e-02 9.890e-03 -2.459e-03 -7.859e-04 / ! Reaction index: Chemkin #808; RMG #5254 ! PDep reaction: PDepNetwork #188 ! Flux pairs: H(5), C2H4N(21); C2H3N(178), C2H4N(21); H(5)+C2H3N(178)(+M)=C2H4N(21)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 7.453e+00 5.352e-01 -9.341e-02 1.489e-03 / CHEB/ -2.646e-01 2.731e-01 2.303e-02 -1.132e-02 / CHEB/ -1.218e+00 3.680e-02 2.172e-02 1.915e-03 / CHEB/ -4.701e-01 1.187e-02 4.505e-03 1.442e-03 / CHEB/ -1.944e-01 8.208e-03 -2.249e-04 -3.686e-04 / CHEB/ -6.260e-02 -5.258e-03 -9.931e-04 1.683e-05 / ! Reaction index: Chemkin #809; RMG #5258 ! PDep reaction: PDepNetwork #188 ! Flux pairs: C2H3N(178), C2H3N(165); H(5), H(5); H(5)+C2H3N(178)(+M)=H(5)+C2H3N(165)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 6.757e+00 -3.709e-01 -7.933e-02 -5.497e-04 / CHEB/ 1.066e+00 3.341e-01 4.703e-02 -9.038e-03 / CHEB/ -8.677e-01 2.553e-02 2.460e-02 5.217e-03 / CHEB/ -4.190e-01 -8.221e-03 2.045e-04 2.107e-03 / CHEB/ -2.164e-01 -2.227e-03 -2.905e-03 -7.336e-04 / CHEB/ -8.859e-02 -5.918e-03 -1.884e-03 -4.119e-04 / ! Reaction index: Chemkin #810; RMG #2831 ! Template reaction: Disproportionation ! Flux pairs: C2H4N(164), C2H3N(178); H(5), H2(7); ! Estimated using template [H_rad;N3H_s_Rrad] for rate rule [H_rad;N3s/H/NonDe_s_Rrad] ! Euclidian distance = 1.0 ! family: Disproportionation H(5)+C2H4N(164)=H2(7)+C2H3N(178) 3.585124e+08 1.500 0.223 ! Reaction index: Chemkin #811; RMG #2835 ! Template reaction: Disproportionation ! Flux pairs: C2H4N(164), C2H3N(178); O(6), OH(3); ! Estimated using template [O_atom_triplet;N3H_s_Rrad] for rate rule [O_atom_triplet;N3s/H/NonDe_s_Rrad] ! Euclidian distance = 1.0 ! family: Disproportionation O(6)+C2H4N(164)=OH(3)+C2H3N(178) 2.645406e+08 1.500 -0.350 ! Reaction index: Chemkin #812; RMG #2840 ! Template reaction: Disproportionation ! Flux pairs: C2H4N(164), C2H3N(178); HO2(10), H2O2(11); ! Estimated using template [O_rad/NonDeO;N3H_s_Rrad] for rate rule [O_rad/NonDeO;N3s/H/NonDe_s_Rrad] ! Euclidian distance = 1.0 ! family: Disproportionation HO2(10)+C2H4N(164)=H2O2(11)+C2H3N(178) 2.900000e+04 2.690 -1.600 ! Reaction index: Chemkin #813; RMG #2848 ! Template reaction: Disproportionation ! Flux pairs: C2H4N(164), C2H3N(178); O2(2), HO2(10); ! Estimated using template [Y_rad_birad_trirad_quadrad;N3H_s_Rrad] for rate rule [O2b;N3s/H/NonDe_s_Rrad] ! Euclidian distance = 2.23606797749979 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation ! Ea raised from -0.8 to 58.1 kJ/mol to match endothermicity of reaction. O2(2)+C2H4N(164)=HO2(10)+C2H3N(178) 6.107623e+07 1.697 13.896 ! Reaction index: Chemkin #814; RMG #2851 ! Template reaction: Disproportionation ! Flux pairs: C2H4N(164), C2H3N(178); OH(3), H2O(8); ! Estimated using template [O_pri_rad;N3H_s_Rrad] for rate rule [O_pri_rad;N3s/H/NonDe_s_Rrad] ! Euclidian distance = 1.0 ! family: Disproportionation OH(3)+C2H4N(164)=H2O(8)+C2H3N(178) 1.904881e+06 2.000 -1.190 ! Reaction index: Chemkin #815; RMG #2855 ! Template reaction: Disproportionation ! Flux pairs: C2H4N(164), C2H3N(178); CH3(15), CH4(16); ! Estimated using template [Y_rad;N3H_s_Rrad] for rate rule [C_methyl;N3s/H/NonDe_s_Rrad] ! Euclidian distance = 2.23606797749979 ! family: Disproportionation CH3(15)+C2H4N(164)=CH4(16)+C2H3N(178) 4.195969e+06 1.909 -0.511 ! Reaction index: Chemkin #816; RMG #2877 ! Template reaction: Disproportionation ! Flux pairs: C2H4N(164), C2H3N(178); C2H6N(13), NCC(1); ! Estimated using average of templates [Y_rad;N3H_s_Rrad] + [C_sec_rad;XH_s_Rrad] for rate rule [C_rad/H/NonDeN;N3s/H/NonDe_s_Rrad] ! Euclidian distance = 3.1622776601683795 ! family: Disproportionation C2H4N(164)+C2H6N(13)=C2H3N(178)+NCC(1) 2.061779e+08 1.199 0.201 ! Reaction index: Chemkin #817; RMG #2892 ! Template reaction: Disproportionation ! Flux pairs: C2H4N(164), C2H3N(178); C2H6N(12), NCC(1); ! Estimated using template [C_rad/H2/Cs;XH_s_Rrad] for rate rule [C_rad/H2/Cs;N3s/H/NonDe_s_Rrad] ! Euclidian distance = 3.0 ! family: Disproportionation C2H4N(164)+C2H6N(12)=C2H3N(178)+NCC(1) 2.306766e+12 -0.070 1.200 ! Reaction index: Chemkin #818; RMG #2898 ! Template reaction: Disproportionation ! Flux pairs: C2H4N(164), C2H3N(178); C2H6N(14), NCC(1); ! Estimated using average of templates [N3s_rad;N3H_s_Rrad] + [N3s_rad/H/NonDe;XH_s_Rrad] for rate rule [N3s_rad/H/NonDeC;N3s/H/NonDe_s_Rrad] ! Euclidian distance = 3.1622776601683795 ! family: Disproportionation C2H4N(164)+C2H6N(14)=C2H3N(178)+NCC(1) 3.855263e+05 2.127 -0.443 ! Reaction index: Chemkin #819; RMG #2912 ! Template reaction: Disproportionation ! Flux pairs: C2H4N(164), C2H3N(178); C2H4N(21), C2H5N(20); ! Estimated using template [C_rad/H2/Cd;XH_s_Rrad] for rate rule [C_rad/H2/Cd;N3s/H/NonDe_s_Rrad] ! Euclidian distance = 3.0 ! family: Disproportionation C2H4N(21)+C2H4N(164)=C2H3N(178)+C2H5N(20) 2.087826e+12 -0.070 1.122 ! Reaction index: Chemkin #820; RMG #2924 ! Template reaction: Disproportionation ! Flux pairs: C2H4N(164), C2H3N(178); C2H4N(21), C2H5N(23); ! Estimated using template [N3s_rad;N3H_s_Rrad] for rate rule [N3s_rad/H/OneDe;N3s/H/NonDe_s_Rrad] ! Euclidian distance = 2.23606797749979 ! family: Disproportionation C2H4N(21)+C2H4N(164)=C2H3N(178)+C2H5N(23) 9.099451e+05 1.940 -1.150 ! Reaction index: Chemkin #821; RMG #2930 ! Template reaction: Disproportionation ! Flux pairs: C2H4N(164), C2H3N(178); CH3CHN(22), C2H5N(20); ! Estimated using template [N3_rad;N3H_s_Rrad] for rate rule [N3d_rad/C;N3s/H/NonDe_s_Rrad] ! Euclidian distance = 2.23606797749979 ! family: Disproportionation CH3CHN(22)+C2H4N(164)=C2H3N(178)+C2H5N(20) 9.099451e+05 1.940 -1.150 ! Reaction index: Chemkin #822; RMG #2956 ! Template reaction: Disproportionation ! Flux pairs: C2H4N(164), C2H3N(178); C2H3N(165), C2H4N(21); ! Estimated using template [N3_rad;N3H_s_Rrad] for rate rule [N3d_rad/C;N3s/H/NonDe_s_Rrad] ! Euclidian distance = 2.23606797749979 ! family: Disproportionation C2H3N(165)+C2H4N(164)=C2H3N(178)+C2H4N(21) 9.099451e+05 1.940 -1.150 ! Reaction index: Chemkin #823; RMG #2958 ! Template reaction: Disproportionation ! Flux pairs: C2H4N(164), C2H3N(178); C2H3N(165), CH3CHN(22); ! Estimated using template [C_rad/H2/Cd;XH_s_Rrad] for rate rule [C_rad/H2/Cd;N3s/H/NonDe_s_Rrad] ! Euclidian distance = 3.0 ! family: Disproportionation C2H3N(165)+C2H4N(164)=C2H3N(178)+CH3CHN(22) 2.087826e+12 -0.070 1.122 ! Reaction index: Chemkin #824; RMG #2971 ! Template reaction: Disproportionation ! Flux pairs: C2H4N(164), C2H3N(178); HCNH(69), CH2NH(25); ! Estimated using template [Y_rad;N3H_s_Rrad] for rate rule [Y_rad;N3s/H/NonDe_s_Rrad] ! Euclidian distance = 1.0 ! family: Disproportionation HCNH(69)+C2H4N(164)=CH2NH(25)+C2H3N(178) 4.195969e+06 1.909 -0.511 ! Reaction index: Chemkin #825; RMG #5253 ! PDep reaction: PDepNetwork #188 ! Flux pairs: H(5), C2H4N(164); C2H3N(178), C2H4N(164); H(5)+C2H3N(178)(+M)=C2H4N(164)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 6.119e+00 6.106e-01 -6.324e-02 9.338e-03 / CHEB/ 4.132e-01 2.252e-01 1.425e-03 -1.760e-02 / CHEB/ -9.483e-01 4.220e-02 2.305e-02 1.666e-03 / CHEB/ -3.663e-01 1.604e-02 6.450e-03 2.040e-03 / CHEB/ -1.939e-01 1.034e-02 8.351e-04 -7.371e-06 / CHEB/ -1.054e-01 -3.982e-03 -4.990e-04 1.577e-04 / ! Reaction index: Chemkin #826; RMG #3117 ! Template reaction: Disproportionation ! Flux pairs: C2H4N(164), C2H3N(178); HCO(32), CH2O(36); ! Estimated using template [Y_rad;N3H_s_Rrad] for rate rule [CO_pri_rad;N3s/H/NonDe_s_Rrad] ! Euclidian distance = 2.23606797749979 ! family: Disproportionation HCO(32)+C2H4N(164)=CH2O(36)+C2H3N(178) 4.195969e+06 1.909 -0.511 ! Reaction index: Chemkin #827; RMG #3227 ! Template reaction: Disproportionation ! Flux pairs: C2H4N(164), C2H3N(178); H2CN(68), CH2NH(25); ! Estimated using template [N3_rad;N3H_s_Rrad] for rate rule [N3d_rad/C;N3s/H/NonDe_s_Rrad] ! Euclidian distance = 2.23606797749979 ! family: Disproportionation H2CN(68)+C2H4N(164)=CH2NH(25)+C2H3N(178) 9.099451e+05 1.940 -1.150 ! Reaction index: Chemkin #828; RMG #3518 ! Template reaction: Disproportionation ! Flux pairs: C2H4N(164), C2H3N(178); CH2(T)(35), CH3(15); ! Estimated using template [Y_1centerbirad;N3H_s_Rrad] for rate rule [CH2_triplet;N3s/H/NonDe_s_Rrad] ! Euclidian distance = 1.4142135623730951 ! family: Disproportionation CH2(T)(35)+C2H4N(164)=CH3(15)+C2H3N(178) 2.645406e+08 1.500 -0.350 ! Reaction index: Chemkin #829; RMG #3557 ! PDep reaction: PDepNetwork #136 ! Flux pairs: HCN(28), C2H3N(178); CH2(T)(35), C2H3N(178); HCN(28)+CH2(T)(35)(+M)=C2H3N(178)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ -5.688e+00 9.368e-01 -2.698e-02 -7.335e-03 / CHEB/ -7.585e-01 2.654e-02 1.120e-02 2.937e-03 / CHEB/ -7.917e-01 1.420e-02 5.761e-03 1.380e-03 / CHEB/ -3.735e-01 1.972e-03 8.873e-04 2.742e-04 / CHEB/ -2.192e-01 -1.210e-03 -4.076e-04 -4.394e-05 / CHEB/ -1.080e-01 -2.275e-03 -8.883e-04 -1.929e-04 / ! Reaction index: Chemkin #830; RMG #3575 ! PDep reaction: PDepNetwork #137 ! Flux pairs: HCNH(69), C2H3N(178); CH2(T)(35), H(5); CH2(T)(35)+HCNH(69)(+M)=H(5)+C2H3N(178)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ -9.353e-01 -7.066e-02 -2.994e-02 -8.047e-03 / CHEB/ -3.220e+00 5.571e-02 2.272e-02 5.554e-03 / CHEB/ -1.035e+00 9.073e-03 4.362e-03 1.471e-03 / CHEB/ -4.462e-01 -2.220e-03 -7.657e-04 -8.919e-05 / CHEB/ -2.166e-01 1.050e-03 2.774e-04 -2.430e-05 / CHEB/ -8.693e-02 -8.221e-04 -3.624e-04 -1.086e-04 / ! Reaction index: Chemkin #831; RMG #3643 ! Template reaction: Disproportionation ! Flux pairs: C2H4N(164), C2H3N(178); CH(34), CH2(S)(41); ! Estimated using template [Y_rad_birad_trirad_quadrad;N3H_s_Rrad] for rate rule [CH_doublet;N3s/H/NonDe_s_Rrad] ! Euclidian distance = 2.23606797749979 ! family: Disproportionation CH(34)+C2H4N(164)=CH2(S)(41)+C2H3N(178) 3.053811e+07 1.697 -0.195 ! Reaction index: Chemkin #832; RMG #4024 ! Template reaction: Disproportionation ! Flux pairs: C2H4N(164), C2H3N(178); C2H4N(151), C2H5N(23); ! Estimated using template [Y_rad;N3H_s_Rrad] for rate rule [Cd_pri_rad;N3s/H/NonDe_s_Rrad] ! Euclidian distance = 2.23606797749979 ! family: Disproportionation C2H4N(164)+C2H4N(151)=C2H3N(178)+C2H5N(23) 4.195969e+06 1.909 -0.511 ! Reaction index: Chemkin #833; RMG #5255 ! PDep reaction: PDepNetwork #188 ! Flux pairs: H(5), C2H4N(151); C2H3N(178), C2H4N(151); H(5)+C2H3N(178)(+M)=C2H4N(151)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 3.304e+00 5.613e-01 -9.175e-02 -3.309e-04 / CHEB/ 1.140e+00 2.992e-01 3.137e-02 -1.096e-02 / CHEB/ -9.673e-01 4.030e-02 2.486e-02 3.246e-03 / CHEB/ -6.002e-01 1.232e-02 5.943e-03 2.376e-03 / CHEB/ -2.404e-01 7.088e-03 -2.395e-04 -2.912e-04 / CHEB/ -1.264e-03 -7.786e-03 -2.282e-03 -4.210e-04 / ! Reaction index: Chemkin #834; RMG #5259 ! PDep reaction: PDepNetwork #188 ! Flux pairs: C2H3N(178), CH2CNH(27); H(5), H(5); H(5)+C2H3N(178)(+M)=H(5)+CH2CNH(27)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 6.611e+00 -4.311e-01 -8.954e-02 4.426e-05 / CHEB/ -1.232e+00 3.014e-01 3.159e-02 -1.132e-02 / CHEB/ -2.261e+00 4.261e-02 2.603e-02 3.626e-03 / CHEB/ -1.014e+00 1.221e-02 6.080e-03 2.491e-03 / CHEB/ -3.608e-01 6.295e-03 -4.819e-04 -3.391e-04 / CHEB/ -8.471e-02 -8.046e-03 -2.402e-03 -4.584e-04 / ! Reaction index: Chemkin #835; RMG #4274 ! Template reaction: Disproportionation ! Flux pairs: C2H4N(164), C2H3N(178); C2H4N(150), C2H5N(23); ! Estimated using template [Y_rad;N3H_s_Rrad] for rate rule [Cd_rad/NonDeN;N3s/H/NonDe_s_Rrad] ! Euclidian distance = 3.1622776601683795 ! family: Disproportionation C2H4N(164)+C2H4N(150)=C2H3N(178)+C2H5N(23) 4.195969e+06 1.909 -0.511 ! Reaction index: Chemkin #836; RMG #5256 ! PDep reaction: PDepNetwork #188 ! Flux pairs: H(5), C2H4N(150); C2H3N(178), C2H4N(150); H(5)+C2H3N(178)(+M)=C2H4N(150)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 4.618e+00 5.369e-01 -9.498e-02 5.152e-04 / CHEB/ 1.778e+00 2.719e-01 2.231e-02 -1.193e-02 / CHEB/ -1.519e+00 3.936e-02 2.354e-02 2.687e-03 / CHEB/ -7.197e-01 1.694e-02 6.840e-03 2.244e-03 / CHEB/ -2.162e-01 1.005e-02 3.804e-04 -2.699e-04 / CHEB/ -8.346e-03 -7.358e-03 -2.066e-03 -3.706e-04 / ! Reaction index: Chemkin #837; RMG #4439 ! Template reaction: Disproportionation ! Flux pairs: C2H4N(164), C2H3N(178); C2H5(48), C2H6(47); ! Estimated using template [C_rad/H2/Cs;XH_s_Rrad] for rate rule [C_rad/H2/Cs;N3s/H/NonDe_s_Rrad] ! Euclidian distance = 3.0 ! family: Disproportionation C2H4N(164)+C2H5(48)=C2H3N(178)+C2H6(47) 2.306766e+12 -0.070 1.200 ! Reaction index: Chemkin #838; RMG #4674 ! Template reaction: Disproportionation ! Flux pairs: C2H4N(164), C2H3N(178); CH2CN(124), CH2CNH(27); ! Estimated using template [N3_rad;N3H_s_Rrad] for rate rule [N3d_rad/C;N3s/H/NonDe_s_Rrad] ! Euclidian distance = 2.23606797749979 ! family: Disproportionation CH2CN(124)+C2H4N(164)=C2H3N(178)+CH2CNH(27) 9.099451e+05 1.940 -1.150 ! Reaction index: Chemkin #839; RMG #4684 ! Template reaction: Disproportionation ! Flux pairs: C2H4N(164), C2H3N(178); CH2CN(124), CH3CN(29); ! Estimated using average of templates [Y_rad;N3H_s_Rrad] + [C_pri_rad;XH_s_Rrad] for rate rule [C_rad/H2/Ct;N3s/H/NonDe_s_Rrad] ! Euclidian distance = 3.1622776601683795 ! family: Disproportionation CH2CN(124)+C2H4N(164)=C2H3N(178)+CH3CN(29) 2.639150e+09 0.931 0.257 ! Reaction index: Chemkin #840; RMG #4777 ! PDep reaction: PDepNetwork #166 ! Flux pairs: H(5), C2H3N(178); CH2CN(124), C2H3N(178); H(5)+CH2CN(124)(+M)=C2H3N(178)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 2.812e-01 2.788e-01 -2.985e-02 5.672e-04 / CHEB/ -8.825e-02 3.652e-01 -1.491e-02 -3.072e-03 / CHEB/ -2.356e-01 1.413e-01 7.024e-03 -1.663e-03 / CHEB/ -2.552e-01 2.968e-02 5.628e-03 1.951e-04 / CHEB/ -1.943e-01 -3.383e-03 9.368e-04 3.058e-04 / CHEB/ -1.011e-01 -7.465e-03 -6.527e-04 6.648e-06 / ! Reaction index: Chemkin #841; RMG #4973 ! PDep reaction: PDepNetwork #116 ! Flux pairs: HCN(28), C2H3N(165); CH2(S)(41), C2H3N(165); HCN(28)+CH2(S)(41)(+M)=C2H3N(165)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.072e+01 9.805e-01 -8.950e-03 -2.848e-03 / CHEB/ -8.057e-01 1.619e-02 7.335e-03 2.267e-03 / CHEB/ -3.668e-01 2.570e-03 1.215e-03 4.100e-04 / CHEB/ -1.917e-01 -6.055e-04 -2.434e-04 -5.397e-05 / CHEB/ -7.510e-02 -2.590e-04 -1.188e-04 -3.743e-05 / CHEB/ -9.812e-03 -4.447e-04 -2.094e-04 -7.002e-05 / ! Reaction index: Chemkin #842; RMG #4972 ! PDep reaction: PDepNetwork #116 ! Flux pairs: HCN(28), C2H3N(178); CH2(S)(41), C2H3N(178); HCN(28)+CH2(S)(41)(+M)=C2H3N(178)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ -4.911e-01 9.978e-01 -9.904e-04 -2.956e-04 / CHEB/ -2.801e-01 2.289e-03 1.009e-03 2.925e-04 / CHEB/ -1.505e-01 8.009e-05 4.466e-05 1.935e-05 / CHEB/ -1.697e-01 -1.818e-04 -7.714e-05 -2.030e-05 / CHEB/ -1.464e-01 -1.766e-05 -9.630e-06 -4.017e-06 / CHEB/ -8.288e-02 -2.575e-05 -1.236e-05 -4.278e-06 / ! Reaction index: Chemkin #843; RMG #4976 ! PDep reaction: PDepNetwork #116 ! Flux pairs: HCN(28), HCN(28); CH2(S)(41), CH2(T)(35); HCN(28)+CH2(S)(41)(+M)=HCN(28)+CH2(T)(35)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 8.876e+00 -1.469e-02 -6.785e-03 -2.186e-03 / CHEB/ -2.188e+00 1.403e-02 6.409e-03 2.016e-03 / CHEB/ -6.525e-01 4.857e-04 2.656e-04 1.133e-04 / CHEB/ -2.733e-01 -8.827e-04 -3.890e-04 -1.124e-04 / CHEB/ -1.275e-01 -3.896e-05 -2.398e-05 -1.162e-05 / CHEB/ -6.044e-02 -1.971e-04 -9.560e-05 -3.390e-05 / ! Reaction index: Chemkin #844; RMG #5237 ! PDep reaction: PDepNetwork #173 ! Flux pairs: NH(T)(59), CH2NH2(26); CH3(15), CH2NH2(26); NH(T)(59)+CH3(15)(+M)=CH2NH2(26)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.312e+01 1.536e-01 -4.931e-02 -4.371e-03 / CHEB/ -3.832e-01 3.523e-01 -6.526e-03 4.560e-03 / CHEB/ -4.036e-01 1.554e-01 8.063e-04 -2.620e-03 / CHEB/ -2.087e-01 5.474e-02 7.076e-03 -1.496e-03 / CHEB/ -1.003e-01 1.185e-02 4.812e-03 1.315e-04 / CHEB/ -4.400e-02 -1.389e-03 1.563e-03 4.722e-04 / ! Reaction index: Chemkin #845; RMG #123 ! Library reaction: FFCM1(-) ! Flux pairs: C2H3(46), C2H4(24); CH2O(36), HCO(32); CH2O(36)+C2H3(46)=HCO(32)+C2H4(24) 5.400000e+03 2.810 5.862 ! Reaction index: Chemkin #846; RMG #136 ! Library reaction: FFCM1(-) ! Flux pairs: CH3(15), C2H3(46); CH(34), H(5); CH(34)+CH3(15)=H(5)+C2H3(46) 3.062000e+13 0.000 0.000 ! Reaction index: Chemkin #847; RMG #225 ! Library reaction: FFCM1(-) ! Flux pairs: C2H3(46), C2H2(39); H(5), H2(7); H(5)+C2H3(46)=H2(7)+C2H2(39) 1.210000e+12 0.000 0.000 ! Reaction index: Chemkin #848; RMG #228 ! Library reaction: FFCM1(-) ! Flux pairs: C2H3(46), C2H2(39); OH(3), H2O(8); OH(3)+C2H3(46)=H2O(8)+C2H2(39) 2.100000e+13 0.000 0.000 ! Reaction index: Chemkin #849; RMG #229 ! Library reaction: FFCM1(-) ! Flux pairs: C2H3(46), HCO(32); OH(3), CH3(15); OH(3)+C2H3(46)=HCO(32)+CH3(15) 6.000000e+12 0.000 0.000 ! Reaction index: Chemkin #850; RMG #231 ! Library reaction: FFCM1(-) ! Flux pairs: C2H3(46), CH2O(36); O2(2), HCO(32); O2(2)+C2H3(46)=HCO(32)+CH2O(36) 3.936000e+15 -0.959 0.580 ! Reaction index: Chemkin #851; RMG #233 ! Library reaction: FFCM1(-) ! Flux pairs: C2H3(46), C2H2(39); O2(2), HO2(10); O2(2)+C2H3(46)=HO2(10)+C2H2(39) 4.400000e+01 2.950 0.186 ! Reaction index: Chemkin #852; RMG #234 ! Library reaction: FFCM1(-) ! Flux pairs: C2H3(46), C2H2(39); CH3(15), CH4(16); CH3(15)+C2H3(46)=CH4(16)+C2H2(39) 9.000000e+12 0.000 -0.765 ! Reaction index: Chemkin #853; RMG #266 ! Library reaction: FFCM1(-) ! Flux pairs: C2H4(24), C2H3(46); H(5), H2(7); H(5)+C2H4(24)=H2(7)+C2H3(46) 2.201000e+02 3.620 11.270 ! Reaction index: Chemkin #854; RMG #270 ! Library reaction: FFCM1(-) ! Flux pairs: C2H4(24), C2H3(46); OH(3), H2O(8); OH(3)+C2H4(24)=H2O(8)+C2H3(46) 2.144000e+04 2.745 2.216 ! Reaction index: Chemkin #855; RMG #273 ! Library reaction: FFCM1(-) ! Flux pairs: C2H4(24), C2H3(46); CH3(15), CH4(16); CH3(15)+C2H4(24)=CH4(16)+C2H3(46) 6.020000e+07 1.560 16.630 ! Reaction index: Chemkin #856; RMG #274 ! Library reaction: FFCM1(-) ! Flux pairs: C2H4(24), C2H3(46); O2(2), HO2(10); O2(2)+C2H4(24)=HO2(10)+C2H3(46) 7.100000e+13 0.000 60.010 ! Reaction index: Chemkin #857; RMG #754 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: C2H3(46), C2H4(24); HCO(32), CO(30); HCO(32)+C2H3(46)=CO(30)+C2H4(24) 9.000000e+13 0.000 0.000 ! Reaction index: Chemkin #858; RMG #755 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: C2H3(46), C2H2(39); CH(34), CH2(T)(35); CH(34)+C2H3(46)=CH2(T)(35)+C2H2(39) 5.000000e+13 0.000 0.000 ! Reaction index: Chemkin #859; RMG #756 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: C2H3(46), C2H4(24); C2H3(46), C2H2(39); C2H3(46)+C2H3(46)=C2H2(39)+C2H4(24) 1.500000e+13 0.000 0.000 ! Reaction index: Chemkin #860; RMG #1065 ! Template reaction: H_Abstraction ! Flux pairs: O(6), OH(3); C2H4(24), C2H3(46); ! Matched reaction 343 C2H4 + O_rad <=> HO + C2H3 in H_Abstraction/training ! This reaction matched rate rule [Cd/H2/NonDeC;O_atom_triplet] ! family: H_Abstraction O(6)+C2H4(24)=OH(3)+C2H3(46) 1.512000e+07 1.910 27.820 ! Reaction index: Chemkin #861; RMG #1067 ! Template reaction: H_Abstraction ! Flux pairs: H2O2(11), HO2(10); C2H3(46), C2H4(24); ! Matched reaction 435 H2O2 + C2H3 <=> C2H4 + HO2_r3 in H_Abstraction/training ! This reaction matched rate rule [Cd/H2/NonDeC;O_rad/NonDeO] ! family: H_Abstraction H2O2(11)+C2H3(46)=HO2(10)+C2H4(24) 2.000000e+00 3.520 -7.480 ! Reaction index: Chemkin #862; RMG #1077 ! Template reaction: Disproportionation ! Flux pairs: C2H3(46), C2H4(24); C2H5(48), C2H4(24); ! Matched reaction 11 C2H3-2 + C2H5 <=> C2H4-2 + C2H4 in Disproportionation/training ! This reaction matched rate rule [Cd_pri_rad;Cmethyl_Csrad] ! family: Disproportionation C2H3(46)+C2H5(48)=C2H4(24)+C2H4(24) 4.560000e+14 -0.700 0.000 ! Reaction index: Chemkin #863; RMG #5497 ! PDep reaction: PDepNetwork #191 ! Flux pairs: H(5), C2H4(24); C2H3(46), C2H4(24); H(5)+C2H3(46)(+M)=C2H4(24)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 7.786e+00 1.000e+00 -7.926e-07 -2.755e-07 / CHEB/ -7.170e-01 1.406e-06 6.745e-07 2.345e-07 / CHEB/ -3.625e-01 2.054e-07 9.853e-08 3.425e-08 / CHEB/ -1.705e-01 -4.192e-09 -2.011e-09 -6.990e-10 / CHEB/ -7.693e-02 -2.449e-08 -1.175e-08 -4.084e-09 / CHEB/ -3.420e-02 -1.343e-08 -6.444e-09 -2.240e-09 / ! Reaction index: Chemkin #864; RMG #1126 ! Template reaction: Disproportionation ! Flux pairs: C2H3(46), CH2NH(25); CH2NH2(26), C2H4(24); ! Estimated using template [Y_rad;N3s/H2_s_Cssrad] for rate rule [Cd_pri_rad;N3s/H2_s_Cssrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation CH2NH2(26)+C2H3(46)=CH2NH(25)+C2H4(24) 3.200000e+06 1.870 -0.630 ! Reaction index: Chemkin #865; RMG #1175 ! Template reaction: H_Abstraction ! Flux pairs: NCC(1), C2H6N(13); C2H3(46), C2H4(24); ! Estimated using template [C_sec;Cd_Cd\H2_pri_rad] for rate rule [C/H2/NonDeN;Cd_Cd\H2_pri_rad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction C2H3(46)+NCC(1)=C2H4(24)+C2H6N(13) 5.141206e-02 4.118 0.322 ! Reaction index: Chemkin #866; RMG #1249 ! Template reaction: Disproportionation ! Flux pairs: C2H3(46), C2H5N(23); C2H6N(12), C2H4(24); ! Estimated using an average for rate rule [Cd_pri_rad;Cpri_Rrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H3(46)+C2H6N(12)=C2H4(24)+C2H5N(23) 2.420000e+12 0.000 0.000 ! Reaction index: Chemkin #867; RMG #1250 ! Template reaction: Disproportionation ! From training reaction 11 used for Cd_pri_rad;Cmethyl_Csrad ! Exact match found for rate rule [Cd_pri_rad;Cmethyl_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C2H3(46)+C2H6N(13)=C2H4(24)+C2H5N(23) 4.560000e+14 -0.700 0.000 ! Reaction index: Chemkin #868; RMG #1318 ! Template reaction: H_Abstraction ! Flux pairs: NCC(1), C2H6N(12); C2H3(46), C2H4(24); ! Estimated using an average for rate rule [C/H3/Cs;Cd_Cd\H2_pri_rad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction C2H3(46)+NCC(1)=C2H4(24)+C2H6N(12) 5.400000e-04 4.550 3.500 ! Reaction index: Chemkin #869; RMG #1437 ! Template reaction: H_Abstraction ! Flux pairs: NCC(1), C2H6N(14); C2H3(46), C2H4(24); ! Estimated using template [N3s/H2/NonDeC;Y_rad] for rate rule [N3s/H2/NonDeC;Cd_Cd\H2_pri_rad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction C2H3(46)+NCC(1)=C2H4(24)+C2H6N(14) 1.517893e+07 1.828 12.179 ! Reaction index: Chemkin #870; RMG #1648 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(20), C2H4N(21); C2H3(46), C2H4(24); ! Estimated using an average for rate rule [C/H3/OneDe;Cd_Cd\H2_pri_rad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction C2H3(46)+C2H5N(20)=C2H4(24)+C2H4N(21) 9.552961e-03 4.340 0.300 ! Reaction index: Chemkin #871; RMG #1650 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(23), C2H4N(21); C2H3(46), C2H4(24); ! Estimated using template [N3s/H2/OneDe;Y_rad] for rate rule [N3s/H2/OneDe;Cd_Cd\H2_pri_rad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction C2H3(46)+C2H5N(23)=C2H4(24)+C2H4N(21) 4.985154e+06 2.000 6.338 ! Reaction index: Chemkin #872; RMG #5499 ! PDep reaction: PDepNetwork #198 ! Flux pairs: NH(T)(59), C2H4N(21); C2H3(46), C2H4N(21); NH(T)(59)+C2H3(46)(+M)=C2H4N(21)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.232e+01 8.025e-01 -6.832e-02 -1.101e-02 / CHEB/ -7.196e-01 1.539e-01 4.584e-02 3.421e-03 / CHEB/ -4.143e-01 9.370e-03 8.353e-03 3.760e-03 / CHEB/ -1.755e-01 2.593e-03 1.176e-03 5.466e-04 / CHEB/ -5.996e-02 1.431e-03 1.862e-04 -1.236e-04 / CHEB/ 2.909e-03 -3.652e-03 -1.197e-03 -1.598e-04 / ! Reaction index: Chemkin #873; RMG #1837 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(20), CH3CHN(22); C2H3(46), C2H4(24); ! Estimated using template [N3d/H/NonDeC;Y_rad] for rate rule [N3d/H/NonDeC;Cd_Cd\H2_pri_rad] ! Euclidian distance = 3.0 ! family: H_Abstraction C2H3(46)+C2H5N(20)=C2H4(24)+CH3CHN(22) 1.200000e+06 2.000 -0.090 ! Reaction index: Chemkin #874; RMG #1936 ! Template reaction: Disproportionation ! Flux pairs: C2H3(46), HCN(28); HCNH(69), C2H4(24); ! Estimated using template [Y_rad;N3d/H_d_Crad] for rate rule [Cd_pri_rad;N3d/H_d_Crad] ! Euclidian distance = 2.0 ! family: Disproportionation HCNH(69)+C2H3(46)=HCN(28)+C2H4(24) 8.200000e+05 1.870 -1.110 ! Reaction index: Chemkin #875; RMG #1937 ! Template reaction: Disproportionation ! Estimated using template [Y_rad;Cds/H2_d_N3rad] for rate rule [Cd_pri_rad;Cds/H2_d_N3rad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation H2CN(68)+C2H3(46)=HCN(28)+C2H4(24) 1.620000e+06 1.870 -1.110 ! Reaction index: Chemkin #876; RMG #2047 ! Template reaction: Disproportionation ! Flux pairs: C2H3(46), CH2CNH(27); C2H4N(150), C2H4(24); ! Estimated using template [Y_rad;N3s/H2_s_Crad] for rate rule [Cd_pri_rad;N3s/H2_s_Cdsrad] ! Euclidian distance = 2.23606797749979 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H3(46)+C2H4N(150)=CH2CNH(27)+C2H4(24) 2.307599e+07 1.790 -0.903 ! Reaction index: Chemkin #877; RMG #2049 ! Template reaction: Disproportionation ! Estimated using template [Cd_pri_rad;Cdpri_Rrad] for rate rule [Cd_pri_rad;Cdpri_Nrad] ! Euclidian distance = 1.0 ! family: Disproportionation C2H3(46)+C2H4N(21)=CH2CNH(27)+C2H4(24) 2.410000e+12 0.000 6.000 ! Reaction index: Chemkin #878; RMG #2234 ! Template reaction: H_Abstraction ! Flux pairs: C2H4N(21), C2H3N(165); C2H3(46), C2H4(24); ! Estimated using average of templates [X_H;Cd_Cd\H2_pri_rad] + [N3d/H/NonDe;Y_rad] for rate rule [N3d/H/NonDe;Cd_Cd\H2_pri_rad] ! Euclidian distance = 3.0 ! family: H_Abstraction C2H3(46)+C2H4N(21)=C2H3N(165)+C2H4(24) 6.462299e+03 2.639 3.018 ! Reaction index: Chemkin #879; RMG #2235 ! Template reaction: H_Abstraction ! Flux pairs: CH3CHN(22), C2H3N(165); C2H3(46), C2H4(24); ! Estimated using an average for rate rule [C/H3/OneDe;Cd_Cd\H2_pri_rad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction C2H3(46)+CH3CHN(22)=C2H3N(165)+C2H4(24) 9.552961e-03 4.340 0.300 ! Reaction index: Chemkin #880; RMG #5504 ! PDep reaction: PDepNetwork #198 ! Flux pairs: C2H3(46), C2H3N(165); NH(T)(59), H(5); NH(T)(59)+C2H3(46)(+M)=H(5)+C2H3N(165)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.285e+01 -1.694e-01 -5.875e-02 -9.571e-03 / CHEB/ 2.075e-01 1.689e-01 5.321e-02 5.745e-03 / CHEB/ -5.765e-02 5.587e-03 7.463e-03 3.978e-03 / CHEB/ -5.771e-02 -3.420e-03 -1.138e-03 7.580e-05 / CHEB/ -3.493e-02 -1.454e-03 -1.039e-03 -4.644e-04 / CHEB/ -2.605e-04 -3.331e-03 -1.292e-03 -3.072e-04 / ! Reaction index: Chemkin #881; RMG #2448 ! Template reaction: H_Abstraction ! Flux pairs: HCNH(69), CH2NH(25); C2H4(24), C2H3(46); ! From training reaction 345 used for Cd/H2/NonDeC;Y_rad ! Exact match found for rate rule [Cd/H2/NonDeC;Y_rad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: H_Abstraction HCNH(69)+C2H4(24)=CH2NH(25)+C2H3(46) 2.052000e+13 0.000 26.090 ! Reaction index: Chemkin #882; RMG #2586 ! Template reaction: Disproportionation ! Flux pairs: C2H3(46), C2H5N(20); C2H6N(13), C2H4(24); ! Estimated using template [Y_rad;N3s/H2_s_Cssrad] for rate rule [Cd_pri_rad;N3s/H2_s_Cssrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H3(46)+C2H6N(13)=C2H4(24)+C2H5N(20) 3.200000e+06 1.870 -0.630 ! Reaction index: Chemkin #883; RMG #2587 ! Template reaction: Disproportionation ! Estimated using template [Cd_pri_rad;C/H2/Nd_Rrad] for rate rule [Cd_pri_rad;C/H2/Nd_Nrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H3(46)+C2H6N(14)=C2H4(24)+C2H5N(20) 2.420000e+12 0.000 0.000 ! Reaction index: Chemkin #884; RMG #5500 ! PDep reaction: PDepNetwork #198 ! Flux pairs: NH(T)(59), C2H4N(164); C2H3(46), C2H4N(164); NH(T)(59)+C2H3(46)(+M)=C2H4N(164)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.097e+01 8.007e-01 -6.932e-02 -1.142e-02 / CHEB/ -8.988e-02 1.510e-01 4.463e-02 3.091e-03 / CHEB/ -2.030e-01 5.983e-03 6.942e-03 3.393e-03 / CHEB/ -1.147e-01 -5.041e-05 6.801e-05 2.530e-04 / CHEB/ -8.853e-02 -1.100e-04 -4.561e-04 -2.925e-04 / CHEB/ -5.669e-02 -4.330e-03 -1.482e-03 -2.346e-04 / ! Reaction index: Chemkin #885; RMG #3150 ! Template reaction: H_Abstraction ! Flux pairs: CH2NH(25), H2CN(68); C2H3(46), C2H4(24); ! Estimated using template [N3d/H/NonDeC;Y_rad] for rate rule [N3d/H/NonDeC;Cd_Cd\H2_pri_rad] ! Euclidian distance = 3.0 ! family: H_Abstraction CH2NH(25)+C2H3(46)=H2CN(68)+C2H4(24) 1.200000e+06 2.000 -0.090 ! Reaction index: Chemkin #886; RMG #3284 ! Template reaction: Disproportionation ! Flux pairs: HO2(10), H2O2(11); C2H3(46), C2H2(39); ! Estimated using template [O_rad/NonDeO;Cds/H2_d_Rrad] for rate rule [O_rad/NonDeO;Cds/H2_d_Crad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation HO2(10)+C2H3(46)=H2O2(11)+C2H2(39) 2.800000e+04 2.690 -1.610 ! Reaction index: Chemkin #887; RMG #3285 ! Template reaction: Disproportionation ! Flux pairs: C2H6N(13), NCC(1); C2H3(46), C2H2(39); ! Estimated using template [Y_rad;Cds/H2_d_Rrad] for rate rule [C_rad/H/NonDeN;Cds/H2_d_Crad] ! Euclidian distance = 3.1622776601683795 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H3(46)+C2H6N(13)=C2H2(39)+NCC(1) 8.204641e+06 1.877 -1.115 ! Reaction index: Chemkin #888; RMG #3286 ! Template reaction: Disproportionation ! Estimated using template [Y_rad;Cds/H2_d_Rrad] for rate rule [C_rad/H2/Cs;Cds/H2_d_Crad] ! Euclidian distance = 3.1622776601683795 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H3(46)+C2H6N(12)=C2H2(39)+NCC(1) 8.204641e+06 1.877 -1.115 ! Reaction index: Chemkin #889; RMG #3287 ! Template reaction: Disproportionation ! Estimated using template [N3s_rad;Cds/H2_d_Rrad] for rate rule [N3s_rad/H/NonDeC;Cds/H2_d_Crad] ! Euclidian distance = 3.1622776601683795 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H3(46)+C2H6N(14)=C2H2(39)+NCC(1) 2.573713e+06 1.940 -1.150 ! Reaction index: Chemkin #890; RMG #3289 ! Template reaction: Disproportionation ! Flux pairs: O(6), OH(3); C2H3(46), C2H2(39); ! Estimated using template [O_atom_triplet;Cds/H2_d_Rrad] for rate rule [O_atom_triplet;Cds/H2_d_Crad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation O(6)+C2H3(46)=OH(3)+C2H2(39) 3.400000e+08 1.500 -0.890 ! Reaction index: Chemkin #891; RMG #3290 ! Template reaction: Disproportionation ! Flux pairs: CH2(T)(35), CH3(15); C2H3(46), C2H2(39); ! Estimated using template [Y_1centerbirad;Cds/H2_d_Rrad] for rate rule [CH2_triplet;Cds/H2_d_Crad] ! Euclidian distance = 1.4142135623730951 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation CH2(T)(35)+C2H3(46)=CH3(15)+C2H2(39) 3.400000e+08 1.500 -0.890 ! Reaction index: Chemkin #892; RMG #3297 ! Template reaction: Disproportionation ! Flux pairs: HCNH(69), C2H2(39); C2H3(46), CH2NH(25); ! Estimated using average of templates [Y_rad_birad_trirad_quadrad;Cds/H2_d_Crad] + [Y_rad;Cds/H2_d_Rrad] for rate rule [Y_rad;Cds/H2_d_Crad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation HCNH(69)+C2H3(46)=CH2NH(25)+C2H2(39) 2.065530e+11 0.309 1.097 ! Reaction index: Chemkin #893; RMG #3298 ! Template reaction: Disproportionation ! Estimated using template [N3_rad;Cds/H2_d_Rrad] for rate rule [N3d_rad/C;Cds/H2_d_Crad] ! Euclidian distance = 2.23606797749979 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation H2CN(68)+C2H3(46)=CH2NH(25)+C2H2(39) 2.573713e+06 1.940 -1.150 ! Reaction index: Chemkin #894; RMG #3305 ! Template reaction: Disproportionation ! Flux pairs: C2H4N(150), C2H2(39); C2H3(46), C2H5N(23); ! Estimated using template [Y_rad;Cds/H2_d_Rrad] for rate rule [Cd_rad/NonDeN;Cds/H2_d_Crad] ! Euclidian distance = 3.1622776601683795 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H3(46)+C2H4N(150)=C2H2(39)+C2H5N(23) 8.204641e+06 1.877 -1.115 ! Reaction index: Chemkin #895; RMG #3306 ! Template reaction: Disproportionation ! Estimated using template [Y_rad;Cds/H2_d_Rrad] for rate rule [Cd_pri_rad;Cds/H2_d_Crad] ! Euclidian distance = 2.23606797749979 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H3(46)+C2H4N(151)=C2H2(39)+C2H5N(23) 8.204641e+06 1.877 -1.115 ! Reaction index: Chemkin #896; RMG #3307 ! Template reaction: Disproportionation ! Estimated using template [N3s_rad;Cds/H2_d_Rrad] for rate rule [N3s_rad/H/OneDe;Cds/H2_d_Crad] ! Euclidian distance = 2.23606797749979 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H3(46)+C2H4N(21)=C2H2(39)+C2H5N(23) 2.573713e+06 1.940 -1.150 ! Reaction index: Chemkin #897; RMG #3318 ! Template reaction: Disproportionation ! Flux pairs: HCO(32), C2H2(39); C2H3(46), CH2O(36); ! Estimated using template [Y_rad;Cds/H2_d_Rrad] for rate rule [CO_pri_rad;Cds/H2_d_Crad] ! Euclidian distance = 2.23606797749979 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation HCO(32)+C2H3(46)=CH2O(36)+C2H2(39) 8.204641e+06 1.877 -1.115 ! Reaction index: Chemkin #898; RMG #3323 ! Template reaction: Disproportionation ! Estimated using template [N3_rad;Cds/H2_d_Rrad] for rate rule [N3d_rad/C;Cds/H2_d_Crad] ! Euclidian distance = 2.23606797749979 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H3(46)+C2H3N(165)=C2H2(39)+C2H4N(21) 2.573713e+06 1.940 -1.150 ! Reaction index: Chemkin #899; RMG #3329 ! Template reaction: Disproportionation ! Flux pairs: C2H3N(165), C2H2(39); C2H3(46), CH3CHN(22); ! Estimated using template [Y_rad;Cds/H2_d_Rrad] for rate rule [C_rad/H2/Cd;Cds/H2_d_Crad] ! Euclidian distance = 3.1622776601683795 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H3(46)+C2H3N(165)=C2H2(39)+CH3CHN(22) 8.204641e+06 1.877 -1.115 ! Reaction index: Chemkin #900; RMG #3337 ! Template reaction: Disproportionation ! Estimated using template [N3_rad;Cds/H2_d_Rrad] for rate rule [N3d_rad/C;Cds/H2_d_Crad] ! Euclidian distance = 2.23606797749979 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation CH2CN(124)+C2H3(46)=C2H2(39)+CH2CNH(27) 2.573713e+06 1.940 -1.150 ! Reaction index: Chemkin #901; RMG #3351 ! Template reaction: Disproportionation ! Flux pairs: C2H4N(21), C2H2(39); C2H3(46), C2H5N(20); ! Estimated using template [Y_rad;Cds/H2_d_Rrad] for rate rule [C_rad/H2/Cd;Cds/H2_d_Crad] ! Euclidian distance = 3.1622776601683795 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H3(46)+C2H4N(21)=C2H2(39)+C2H5N(20) 8.204641e+06 1.877 -1.115 ! Reaction index: Chemkin #902; RMG #3353 ! Template reaction: Disproportionation ! Estimated using template [N3_rad;Cds/H2_d_Rrad] for rate rule [N3d_rad/C;Cds/H2_d_Crad] ! Euclidian distance = 2.23606797749979 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H3(46)+CH3CHN(22)=C2H2(39)+C2H5N(20) 2.573713e+06 1.940 -1.150 ! Reaction index: Chemkin #903; RMG #3357 ! Template reaction: Disproportionation ! Flux pairs: C2H5(48), C2H6(47); C2H3(46), C2H2(39); ! Estimated using template [Y_rad;Cds/H2_d_Rrad] for rate rule [C_rad/H2/Cs;Cds/H2_d_Crad] ! Euclidian distance = 3.1622776601683795 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H3(46)+C2H5(48)=C2H2(39)+C2H6(47) 8.204641e+06 1.877 -1.115 ! Reaction index: Chemkin #904; RMG #3432 ! Template reaction: Disproportionation ! Flux pairs: CH(34), CH2(S)(41); C2H3(46), C2H2(39); ! Estimated using template [Y_rad_birad_trirad_quadrad;Cds/H2_d_Crad] for rate rule [CH_doublet;Cds/H2_d_Crad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation CH(34)+C2H3(46)=CH2(S)(41)+C2H2(39) 5.200000e+15 -1.260 3.310 ! Reaction index: Chemkin #905; RMG #3463 ! Template reaction: H_Abstraction ! Flux pairs: CH2(T)(35), CH3(15); C2H4(24), C2H3(46); ! Estimated using template [Cd/H2/NonDeC;Y_1centerbirad] for rate rule [Cd/H2/NonDeC;CH2_triplet] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 4.0 ! family: H_Abstraction CH2(T)(35)+C2H4(24)=CH3(15)+C2H3(46) 1.512000e+07 1.910 27.820 ! Reaction index: Chemkin #906; RMG #3571 ! PDep reaction: PDepNetwork #137 ! Flux pairs: HCNH(69), C2H3(46); CH2(T)(35), NH(T)(59); CH2(T)(35)+HCNH(69)(+M)=NH(T)(59)+C2H3(46)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.111e+01 -5.287e-02 -2.262e-02 -6.205e-03 / CHEB/ 9.201e-01 5.260e-02 2.197e-02 5.697e-03 / CHEB/ 2.578e-01 5.322e-03 2.768e-03 1.058e-03 / CHEB/ 5.305e-02 -4.439e-03 -1.748e-03 -3.784e-04 / CHEB/ -2.321e-03 -2.097e-04 -2.419e-04 -1.579e-04 / CHEB/ 6.621e-03 -7.378e-04 -3.472e-04 -1.177e-04 / ! Reaction index: Chemkin #907; RMG #3592 ! Template reaction: H_Abstraction ! Flux pairs: CH2(S)(41), CH(34); C2H3(46), C2H4(24); ! Estimated using template [X_H_or_Xrad_H_Xbirad_H_Xtrirad_H;Cd_Cd\H2_pri_rad] for rate rule [CH2_singlet_H;Cd_Cd\H2_pri_rad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction CH2(S)(41)+C2H3(46)=CH(34)+C2H4(24) 1.336221e+01 3.434 3.367 ! Reaction index: Chemkin #908; RMG #3694 ! Template reaction: Disproportionation ! Estimated using template [Y_rad;CH_d_Rrad] for rate rule [Cd_pri_rad;Cds/H/NonDe_d_Rrad] ! Euclidian distance = 2.8284271247461903 ! family: Disproportionation C2H3(46)+CH3CHN(22)=CH3CN(29)+C2H4(24) 4.301018e+06 1.908 -1.134 ! Reaction index: Chemkin #909; RMG #3800 ! Template reaction: Disproportionation ! Estimated using template [Y_rad;Cds/H2_d_Rrad] for rate rule [C_rad/H2/Ct;Cds/H2_d_Crad] ! Euclidian distance = 3.1622776601683795 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation CH2CN(124)+C2H3(46)=C2H2(39)+CH3CN(29) 8.204641e+06 1.877 -1.115 ! Reaction index: Chemkin #910; RMG #3882 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(23), C2H4N(151); C2H3(46), C2H4(24); ! From training reaction 177 used for Cd/H2/NonDeC;Cd_Cd\H2_pri_rad ! Exact match found for rate rule [Cd/H2/NonDeC;Cd_Cd\H2_pri_rad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction C2H3(46)+C2H5N(23)=C2H4(24)+C2H4N(151) 6.874000e-04 4.732 6.579 ! Reaction index: Chemkin #911; RMG #5501 ! PDep reaction: PDepNetwork #198 ! Flux pairs: NH(T)(59), C2H4N(151); C2H3(46), C2H4N(151); NH(T)(59)+C2H3(46)(+M)=C2H4N(151)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 8.635e+00 8.099e-01 -6.620e-02 -1.097e-02 / CHEB/ 5.198e-01 1.599e-01 4.866e-02 4.256e-03 / CHEB/ -1.906e-01 1.009e-02 8.891e-03 4.060e-03 / CHEB/ -2.892e-01 3.452e-03 1.646e-03 7.490e-04 / CHEB/ -8.735e-02 1.749e-03 3.053e-04 -1.010e-04 / CHEB/ 6.982e-02 -4.187e-03 -1.544e-03 -3.214e-04 / ! Reaction index: Chemkin #912; RMG #5506 ! PDep reaction: PDepNetwork #198 ! Flux pairs: C2H3(46), CH2CNH(27); NH(T)(59), H(5); NH(T)(59)+C2H3(46)(+M)=H(5)+CH2CNH(27)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.202e+01 -1.865e-01 -6.479e-02 -1.064e-02 / CHEB/ -1.850e+00 1.604e-01 4.886e-02 4.277e-03 / CHEB/ -1.474e+00 1.082e-02 9.271e-03 4.209e-03 / CHEB/ -6.922e-01 3.514e-03 1.695e-03 7.775e-04 / CHEB/ -2.008e-01 1.593e-03 2.352e-04 -1.235e-04 / CHEB/ -9.427e-03 -4.175e-03 -1.558e-03 -3.354e-04 / ! Reaction index: Chemkin #913; RMG #4169 ! Template reaction: H_Abstraction ! Flux pairs: C2H4N(150), C2H5N(23); C2H4(24), C2H3(46); ! Estimated using template [Cd/H2/NonDeC;Cd_sec_rad] for rate rule [Cd/H2/NonDeC;Cd_rad/NonDeN] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 4.0 ! family: H_Abstraction C2H4(24)+C2H4N(150)=C2H3(46)+C2H5N(23) 3.646472e-02 4.340 10.222 ! Reaction index: Chemkin #914; RMG #5502 ! PDep reaction: PDepNetwork #198 ! Flux pairs: NH(T)(59), C2H4N(150); C2H3(46), C2H4N(150); NH(T)(59)+C2H3(46)(+M)=C2H4N(150)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 9.623e+00 8.030e-01 -6.846e-02 -1.124e-02 / CHEB/ 1.244e+00 1.525e-01 4.532e-02 3.281e-03 / CHEB/ -7.336e-01 1.016e-02 8.814e-03 3.969e-03 / CHEB/ -4.146e-01 4.707e-03 2.139e-03 8.570e-04 / CHEB/ -6.933e-02 2.310e-03 5.463e-04 -3.302e-05 / CHEB/ 5.949e-02 -4.369e-03 -1.558e-03 -2.936e-04 / ! Reaction index: Chemkin #915; RMG #4372 ! Template reaction: H_Abstraction ! Flux pairs: C2H6(47), C2H5(48); C2H3(46), C2H4(24); ! Matched reaction 775 C2H3 + C2H6 <=> C2H4 + C2H5 in H_Abstraction/training ! This reaction matched rate rule [Cd/H2/NonDeC;C_rad/H2/Cs\H3] ! family: H_Abstraction C2H3(46)+C2H6(47)=C2H4(24)+C2H5(48) 1.080000e-03 4.550 3.500 ! Reaction index: Chemkin #916; RMG #4524 ! Template reaction: Disproportionation ! From training reaction 51 used for Cd_pri_rad;Cdpri_Csrad ! Exact match found for rate rule [Cd_pri_rad;Cdpri_Csrad] ! Euclidian distance = 0 ! family: Disproportionation C2H3(46)+C2H3N(165)=CH2CN(124)+C2H4(24) 2.410000e+12 0.000 6.000 ! Reaction index: Chemkin #917; RMG #4526 ! Template reaction: H_Abstraction ! Flux pairs: CH2CNH(27), CH2CN(124); C2H3(46), C2H4(24); ! Estimated using average of templates [X_H;Cd_Cd\H2_pri_rad] + [N3d/H/OneDe;Y_rad] for rate rule [N3d/H/OneDe;Cd_Cd\H2_pri_rad] ! Euclidian distance = 3.0 ! family: H_Abstraction C2H3(46)+CH2CNH(27)=CH2CN(124)+C2H4(24) 2.563502e+05 2.013 8.072 ! Reaction index: Chemkin #918; RMG #4528 ! Template reaction: H_Abstraction ! Flux pairs: CH3CN(29), CH2CN(124); C2H3(46), C2H4(24); ! From training reaction 1231 used for C/H3/Ct;Cd_Cd\H2_pri_rad ! Exact match found for rate rule [C/H3/Ct;Cd_Cd\H2_pri_rad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction C2H3(46)+CH3CN(29)=CH2CN(124)+C2H4(24) 2.076000e-02 4.340 0.600 ! Reaction index: Chemkin #919; RMG #5025 ! Template reaction: Disproportionation ! Flux pairs: C2H3(46), C2H3N(178); C2H4N(164), C2H4(24); ! Estimated using template [Y_rad;N3H_s_Rrad] for rate rule [Cd_pri_rad;N3s/H/NonDe_s_Rrad] ! Euclidian distance = 2.23606797749979 ! family: Disproportionation C2H3(46)+C2H4N(164)=C2H3N(178)+C2H4(24) 4.195969e+06 1.909 -0.511 ! Reaction index: Chemkin #920; RMG #5505 ! PDep reaction: PDepNetwork #198 ! Flux pairs: C2H3(46), C2H3N(178); NH(T)(59), H(5); NH(T)(59)+C2H3(46)(+M)=H(5)+C2H3N(178)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ -7.902e-01 -1.696e-01 -5.941e-02 -1.003e-02 / CHEB/ -3.360e+00 1.635e-01 5.129e-02 5.359e-03 / CHEB/ -1.034e+00 1.095e-03 5.603e-03 3.515e-03 / CHEB/ -4.703e-01 -5.104e-03 -1.910e-03 -1.640e-04 / CHEB/ -2.377e-01 -1.468e-03 -1.067e-03 -4.891e-04 / CHEB/ -1.002e-01 -2.808e-03 -1.083e-03 -2.570e-04 / ! Reaction index: Chemkin #921; RMG #5277 ! PDep reaction: PDepNetwork #98 ! Flux pairs: H(5), C2H3(46); C2H2(39), C2H3(46); H(5)+C2H2(39)(+M)=C2H3(46)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.171e+01 3.783e-01 -3.201e-02 1.145e-03 / CHEB/ 2.293e-01 3.974e-01 8.987e-04 -3.174e-03 / CHEB/ -4.108e-01 1.058e-01 1.338e-02 3.443e-05 / CHEB/ -1.872e-01 1.258e-02 4.043e-03 7.303e-04 / CHEB/ -6.693e-02 -2.454e-03 4.230e-05 1.356e-04 / CHEB/ -1.719e-02 -2.468e-03 -2.991e-04 -4.439e-05 / ! Reaction index: Chemkin #922; RMG #58 ! Library reaction: FFCM1(-) ! Flux pairs: O(6), CO2(31); CO(30), CO2(31); O(6)+CO(30)(+M)=CO2(31)(+M) 1.880e+11 0.000 2.430 He(9)/2.50/ Ar/0.87/ CH4(16)/2.00/ H2O(8)/12.00/ CO2(31)/3.80/ CO(30)/1.90/ CH2O(36)/2.50/ C2H6(47)/3.00/ LOW/ 1.400e+21 -2.100 5.500 / ! Reaction index: Chemkin #923; RMG #59 ! Library reaction: FFCM1(-) ! Flux pairs: CO(30), CO2(31); O2(2), O(6); O2(2)+CO(30)=O(6)+CO2(31) 1.533000e+12 0.000 47.700 ! Reaction index: Chemkin #924; RMG #60 ! Library reaction: FFCM1(-) OH(3)+CO(30)=H(5)+CO2(31) 6.187000e+04 2.053 -0.356 DUPLICATE ! Reaction index: Chemkin #925; RMG #60 ! Library reaction: FFCM1(-) OH(3)+CO(30)=H(5)+CO2(31) 5.017000e+12 -0.664 0.332 DUPLICATE ! Reaction index: Chemkin #926; RMG #61 ! Library reaction: FFCM1(-) ! Flux pairs: CO(30), CO2(31); HO2(10), OH(3); HO2(10)+CO(30)=OH(3)+CO2(31) 1.570000e+05 2.180 17.944 ! Reaction index: Chemkin #927; RMG #65 ! Library reaction: FFCM1(-) ! Flux pairs: HCO(32), CO2(31); O(6), H(5); O(6)+HCO(32)=H(5)+CO2(31) 3.001000e+13 0.000 0.000 ! Reaction index: Chemkin #928; RMG #77 ! Library reaction: FFCM1(-) ! Flux pairs: CH(34), CO2(31); O2(2), H(5); O2(2)+CH(34)=H(5)+CO2(31) 2.781000e+08 1.430 1.200 ! Reaction index: Chemkin #929; RMG #81 ! Library reaction: FFCM1(-) ! Flux pairs: CO2(31), HCO(32); CH(34), CO(30); CO2(31)+CH(34)=CO(30)+HCO(32) 6.380000e+07 1.510 -0.715 ! Reaction index: Chemkin #930; RMG #89 ! Library reaction: FFCM1(-) ! Flux pairs: CH2(T)(35), CO2(31); O2(2), H(5); O2(2), H(5); O2(2)+CH2(T)(35)=H(5)+H(5)+CO2(31) 1.844000e+12 0.000 1.000 ! Reaction index: Chemkin #931; RMG #91 ! Library reaction: FFCM1(-) ! Flux pairs: CH2(T)(35), CO2(31); O2(2), H2(7); O2(2)+CH2(T)(35)=H2(7)+CO2(31) 1.836000e+12 0.000 1.000 ! Reaction index: Chemkin #932; RMG #110 ! Library reaction: FFCM1(-) ! Flux pairs: CO2(31), CO2(31); CH2(S)(41), CH2(T)(35); CO2(31)+CH2(S)(41)=CO2(31)+CH2(T)(35) 1.330000e+13 0.000 0.000 ! Reaction index: Chemkin #933; RMG #111 ! Library reaction: FFCM1(-) ! Flux pairs: CO2(31), CH2O(36); CH2(S)(41), CO(30); CO2(31)+CH2(S)(41)=CO(30)+CH2O(36) 6.620000e+12 0.000 0.000 ! Reaction index: Chemkin #934; RMG #492 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: HNC(87), CO2(31); O2(2), NH(T)(59); O2(2)+HNC(87)=NH(T)(59)+CO2(31) 1.600000e+19 -2.250 1.777 ! Reaction index: Chemkin #935; RMG #728 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: HCO(32), CO2(31); HO2(10), H(5); HO2(10), OH(3); HO2(10)+HCO(32)=H(5)+OH(3)+CO2(31) 3.000000e+13 0.000 0.000 ! Reaction index: Chemkin #936; RMG #733 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: CO2(31), CH2O(36); CH2(T)(35), CO(30); CO2(31)+CH2(T)(35)=CO(30)+CH2O(36) 1.000000e+11 0.000 1.000 ! Reaction index: Chemkin #937; RMG #753 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: C2H3(46), CO2(31); O2(2), CH3(15); O2(2)+C2H3(46)=CO2(31)+CH3(15) 6.000000e+12 -0.800 0.179 ! Reaction index: Chemkin #938; RMG #5660 ! PDep reaction: PDepNetwork #30 ! Flux pairs: C2H5N(23), H2CN(68); C2H5N(23), CH3(15); C2H5N(23)(+M)=H2CN(68)+CH3(15)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ -1.884e+01 -9.395e-01 -9.984e-02 3.948e-03 / CHEB/ 2.633e+01 1.056e+00 1.629e-02 -7.111e-03 / CHEB/ -5.066e-01 2.941e-01 3.145e-02 2.744e-03 / CHEB/ -4.487e-01 2.371e-02 7.196e-03 1.963e-03 / CHEB/ -2.138e-01 -1.520e-02 -2.248e-03 -1.029e-04 / CHEB/ -8.581e-02 -8.322e-03 -1.276e-03 -3.371e-04 / ! Reaction index: Chemkin #939; RMG #1287 ! PDep reaction: PDepNetwork #30 ! Flux pairs: C2H5N(23), C2H5N(152); C2H5N(23)(+M)=C2H5N(152)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ -2.056e+01 2.842e-01 -3.617e-02 4.096e-03 / CHEB/ 2.844e+01 3.963e-01 -2.196e-02 -2.927e-03 / CHEB/ -6.437e-01 1.883e-01 1.049e-02 -4.384e-03 / CHEB/ -3.511e-01 5.301e-02 1.474e-02 -1.191e-03 / CHEB/ -1.632e-01 -2.603e-03 7.183e-03 8.320e-04 / CHEB/ -6.049e-02 -1.362e-02 1.014e-03 8.661e-04 / ! Reaction index: Chemkin #940; RMG #1790 ! PDep reaction: PDepNetwork #51 ! Flux pairs: H(5), C2H5N(152); C2H4N(21), C2H5N(152); H(5)+C2H4N(21)(+M)=C2H5N(152)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.107e+01 -5.989e-01 -3.850e-02 6.720e-03 / CHEB/ 2.910e+00 4.931e-01 5.397e-03 -4.570e-03 / CHEB/ 1.460e-01 1.818e-01 3.150e-02 -5.672e-03 / CHEB/ 6.066e-02 1.430e-02 1.144e-02 -6.330e-04 / CHEB/ -3.878e-02 -5.238e-02 -4.437e-03 2.314e-03 / CHEB/ -1.217e-01 -5.330e-02 -5.007e-03 2.755e-03 / ! Reaction index: Chemkin #941; RMG #3374 ! PDep reaction: PDepNetwork #101 ! Flux pairs: NH3(17), C2H5N(152); C2H2(39), C2H5N(152); NH3(17)+C2H2(39)(+M)=C2H5N(152)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ -1.186e+01 -6.496e-01 -3.688e-02 5.678e-03 / CHEB/ 2.041e+01 4.641e-01 -6.651e-03 -3.979e-03 / CHEB/ -7.721e-03 2.038e-01 2.419e-02 -5.632e-03 / CHEB/ -3.554e-02 4.367e-02 1.700e-02 -1.253e-03 / CHEB/ -5.243e-02 -2.727e-02 3.368e-03 1.895e-03 / CHEB/ -6.596e-02 -4.158e-02 -1.999e-03 2.493e-03 / ! Reaction index: Chemkin #942; RMG #4105 ! PDep reaction: PDepNetwork #153 ! Flux pairs: H(5), C2H5N(152); C2H4N(151), C2H5N(152); H(5)+C2H4N(151)(+M)=C2H5N(152)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 7.241e+00 -7.157e-04 -3.324e-04 -1.085e-04 / CHEB/ 7.032e+00 -1.060e-03 -4.931e-04 -1.613e-04 / CHEB/ 6.027e-01 -1.585e-04 -7.546e-05 -2.584e-05 / CHEB/ -4.173e-01 7.645e-04 3.522e-04 1.130e-04 / CHEB/ -4.378e-01 1.200e-03 5.546e-04 1.792e-04 / CHEB/ -2.345e-01 9.323e-04 4.320e-04 1.403e-04 / ! Reaction index: Chemkin #943; RMG #4357 ! PDep reaction: PDepNetwork #155 ! Flux pairs: H(5), C2H5N(152); C2H4N(150), C2H5N(152); H(5)+C2H4N(150)(+M)=C2H5N(152)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 7.225e+00 -6.036e-04 -2.816e-04 -9.271e-05 / CHEB/ 7.038e+00 -8.960e-04 -4.184e-04 -1.380e-04 / CHEB/ 6.153e-01 -1.394e-04 -6.644e-05 -2.281e-05 / CHEB/ -4.119e-01 6.362e-04 2.946e-04 9.552e-05 / CHEB/ -4.386e-01 1.004e-03 4.665e-04 1.522e-04 / CHEB/ -2.375e-01 7.840e-04 3.650e-04 1.196e-04 / ! Reaction index: Chemkin #944; RMG #1094 ! PDep reaction: PDepNetwork #6 ! Flux pairs: O2(2), CH3OO(127); CH3(15), CH3OO(127); O2(2)+CH3(15)(+M)=CH3OO(127)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.071e+01 5.977e-01 -5.403e-02 9.812e-04 / CHEB/ -6.192e-01 3.524e-01 3.106e-02 -3.877e-03 / CHEB/ -5.153e-01 3.337e-02 1.612e-02 1.731e-03 / CHEB/ -1.697e-01 -5.347e-03 2.281e-03 2.707e-04 / CHEB/ -4.400e-02 2.798e-03 -3.256e-03 3.332e-04 / CHEB/ 1.982e-02 -1.591e-02 2.170e-03 -3.124e-04 / ! Reaction index: Chemkin #945; RMG #5662 ! PDep reaction: PDepNetwork #105 ! Flux pairs: HO2(10), CH3OO(127); CH2(S)(41), CH3OO(127); HO2(10)+CH2(S)(41)(+M)=CH3OO(127)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 7.538e+00 9.999e-01 -3.456e-05 -1.201e-05 / CHEB/ -3.929e-01 6.838e-05 3.279e-05 1.140e-05 / CHEB/ -1.045e-01 -2.171e-06 -1.040e-06 -3.608e-07 / CHEB/ -2.397e-03 -2.642e-06 -1.267e-06 -4.405e-07 / CHEB/ 3.264e-02 -3.020e-06 -1.448e-06 -5.034e-07 / CHEB/ 2.260e-02 -3.090e-09 -1.581e-09 -6.178e-10 / ! Reaction index: Chemkin #946; RMG #488 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: HCN(28), CN(77); O(6), OH(3); O(6)+HCN(28)=OH(3)+CN(77) 4.200000e+10 0.400 20.663 ! Reaction index: Chemkin #947; RMG #493 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: CN(77), HCN(28); H2(7), H(5); H2(7)+CN(77)=H(5)+HCN(28) 3.600000e+08 1.550 2.999 ! Reaction index: Chemkin #948; RMG #494 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: CN(77), HCN(28); H2O(8), OH(3); H2O(8)+CN(77)=OH(3)+HCN(28) 7.800000e+12 0.000 7.447 ! Reaction index: Chemkin #949; RMG #501 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: CN(77), HCN(28); CH4(16), CH3(15); CN(77)+CH4(16)=HCN(28)+CH3(15) 1.200000e+05 2.640 -0.159 ! Reaction index: Chemkin #950; RMG #887 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: HCN(28), CN(77); O2(2), HO2(10); O2(2)+HCN(28)=HO2(10)+CN(77) 3.000000e+13 0.000 75.100 ! Reaction index: Chemkin #951; RMG #921 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: CH2O(36), HCO(32); CN(77), HCN(28); CN(77)+CH2O(36)=HCO(32)+HCN(28) 1.700000e+03 2.700 -1.427 ! Reaction index: Chemkin #952; RMG #930 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: CN(77), CH2CN(124); CH3(15), H(5); CN(77)+CH3(15)=H(5)+CH2CN(124) 1.000000e+14 0.000 0.000 ! Reaction index: Chemkin #953; RMG #935 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: CH2CN(124), CH2O(36); O(6), CN(77); O(6)+CH2CN(124)=CN(77)+CH2O(36) 1.000000e+14 0.000 0.000 ! Reaction index: Chemkin #954; RMG #961 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: C2H6(47), C2H5(48); CN(77), HCN(28); CN(77)+C2H6(47)=HCN(28)+C2H5(48) 1.200000e+08 1.800 -0.994 ! Reaction index: Chemkin #955; RMG #998 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: HCN(28), H(5); HCN(28), CN(77); HCN(28)+M=H(5)+CN(77)+M 3.400e+35 -5.100 133.000 O2(2)/1.50/ H2O(8)/10.00/ N2(42)/0.00/ ! Reaction index: Chemkin #956; RMG #1919 ! Template reaction: H_Abstraction ! Flux pairs: H2O2(11), HO2(10); CN(77), HCN(28); ! Estimated using template [H2O2;Y_rad] for rate rule [H2O2;Ct_rad/N] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction H2O2(11)+CN(77)=HO2(10)+HCN(28) 1.412291e+01 3.268 10.312 ! Reaction index: Chemkin #957; RMG #1938 ! Template reaction: Disproportionation ! Estimated using template [Ct_rad;Cmethyl_Csrad] for rate rule [Ct_rad/Nt;Cmethyl_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation CN(77)+C2H5(48)=HCN(28)+C2H4(24) 1.083000e+13 0.000 0.000 ! Reaction index: Chemkin #958; RMG #1947 ! Template reaction: Disproportionation ! Estimated using template [Y_rad;N3s/H2_s_Cssrad] for rate rule [Ct_rad/Nt;N3s/H2_s_Cssrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation CN(77)+CH2NH2(26)=HCN(28)+CH2NH(25) 3.200000e+06 1.870 -0.630 ! Reaction index: Chemkin #959; RMG #1955 ! Template reaction: H_Abstraction ! Flux pairs: NCC(1), C2H6N(13); CN(77), HCN(28); ! Estimated using template [C_sec;Ct_rad] for rate rule [C/H2/NonDeN;Ct_rad/N] ! Euclidian distance = 1.4142135623730951 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction CN(77)+NCC(1)=HCN(28)+C2H6N(13) 1.210000e+12 0.000 0.000 ! Reaction index: Chemkin #960; RMG #1962 ! Template reaction: Disproportionation ! Estimated using template [Ct_rad;Cpri_Rrad] for rate rule [Ct_rad/Nt;Cpri_Rrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation CN(77)+C2H6N(12)=HCN(28)+C2H5N(23) 1.206000e+13 0.000 0.000 ! Reaction index: Chemkin #961; RMG #1963 ! Template reaction: Disproportionation ! Estimated using template [Ct_rad;Cmethyl_Csrad] for rate rule [Ct_rad/Nt;Cmethyl_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation CN(77)+C2H6N(13)=HCN(28)+C2H5N(23) 1.083000e+13 0.000 0.000 ! Reaction index: Chemkin #962; RMG #1970 ! Template reaction: H_Abstraction ! Flux pairs: NCC(1), C2H6N(12); CN(77), HCN(28); ! Estimated using template [C/H3/Cs;Ct_rad] for rate rule [C/H3/Cs;Ct_rad/N] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction CN(77)+NCC(1)=HCN(28)+C2H6N(12) 1.806000e+12 0.000 0.000 ! Reaction index: Chemkin #963; RMG #1977 ! Template reaction: H_Abstraction ! Flux pairs: NCC(1), C2H6N(14); CN(77), HCN(28); ! Estimated using template [N3s/H2/NonDeC;Y_rad] for rate rule [N3s/H2/NonDeC;Ct_rad/N] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction CN(77)+NCC(1)=HCN(28)+C2H6N(14) 1.517893e+07 1.828 12.179 ! Reaction index: Chemkin #964; RMG #1990 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(20), C2H4N(21); CN(77), HCN(28); ! Estimated using template [C_pri;Ct_rad] for rate rule [C/H3/OneDe;Ct_rad/N] ! Euclidian distance = 1.4142135623730951 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction CN(77)+C2H5N(20)=HCN(28)+C2H4N(21) 1.806000e+12 0.000 0.000 ! Reaction index: Chemkin #965; RMG #1992 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(23), C2H4N(21); CN(77), HCN(28); ! Estimated using average of templates [N3s_H;Ct_rad/N] + [N3s/H2/OneDe;Y_rad] for rate rule [N3s/H2/OneDe;Ct_rad/N] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction CN(77)+C2H5N(23)=HCN(28)+C2H4N(21) 9.577413e+09 1.000 2.989 ! Reaction index: Chemkin #966; RMG #1998 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(20), CH3CHN(22); CN(77), HCN(28); ! Estimated using template [N3d/H/NonDeC;Y_rad] for rate rule [N3d/H/NonDeC;Ct_rad/N] ! Euclidian distance = 2.0 ! family: H_Abstraction CN(77)+C2H5N(20)=HCN(28)+CH3CHN(22) 1.200000e+06 2.000 -0.090 ! Reaction index: Chemkin #967; RMG #1999 ! Template reaction: Disproportionation ! Flux pairs: CN(77), HCN(28); HCNH(69), HCN(28); ! Estimated using template [Y_rad;N3d/H_d_Crad] for rate rule [Ct_rad/Nt;N3d/H_d_Crad] ! Euclidian distance = 2.0 ! family: Disproportionation CN(77)+HCNH(69)=HCN(28)+HCN(28) 8.200000e+05 1.870 -1.110 ! Reaction index: Chemkin #968; RMG #2000 ! Template reaction: Disproportionation ! Estimated using template [Y_rad;Cds/H2_d_N3rad] for rate rule [Ct_rad/Nt;Cds/H2_d_N3rad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation CN(77)+H2CN(68)=HCN(28)+HCN(28) 1.620000e+06 1.870 -1.110 ! Reaction index: Chemkin #969; RMG #2148 ! Template reaction: Disproportionation ! Flux pairs: CN(77), CH2CNH(27); C2H4N(150), HCN(28); ! Estimated using template [Y_rad;N3s/H2_s_Crad] for rate rule [Ct_rad/Nt;N3s/H2_s_Cdsrad] ! Euclidian distance = 2.23606797749979 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation CN(77)+C2H4N(150)=HCN(28)+CH2CNH(27) 2.307599e+07 1.790 -0.903 ! Reaction index: Chemkin #970; RMG #2150 ! Template reaction: Disproportionation ! Estimated using average of templates [Y_rad;Cdpri_Rrad] + [Ct_rad;XH_s_Rrad] for rate rule [Ct_rad/Nt;Cdpri_Nrad] ! Euclidian distance = 2.23606797749979 ! family: Disproportionation CN(77)+C2H4N(21)=HCN(28)+CH2CNH(27) 4.684088e+12 0.000 3.000 ! Reaction index: Chemkin #971; RMG #2355 ! Template reaction: H_Abstraction ! Flux pairs: C2H4N(21), C2H3N(165); CN(77), HCN(28); ! Estimated using average of templates [N3_H;Ct_rad/N] + [N3d/H/NonDe;Y_rad] for rate rule [N3d/H/NonDe;Ct_rad/N] ! Euclidian distance = 2.0 ! family: H_Abstraction CN(77)+C2H4N(21)=HCN(28)+C2H3N(165) 7.583276e+09 0.922 1.155 ! Reaction index: Chemkin #972; RMG #2356 ! Template reaction: H_Abstraction ! Flux pairs: CH3CHN(22), C2H3N(165); CN(77), HCN(28); ! Estimated using template [C_pri;Ct_rad] for rate rule [C/H3/OneDe;Ct_rad/N] ! Euclidian distance = 1.4142135623730951 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction CN(77)+CH3CHN(22)=HCN(28)+C2H3N(165) 1.806000e+12 0.000 0.000 ! Reaction index: Chemkin #973; RMG #2518 ! Template reaction: H_Abstraction ! Flux pairs: CH2NH(25), HCNH(69); CN(77), HCN(28); ! Estimated using template [Cd/H2/NonDeN;Y_rad] for rate rule [Cd/H2/NonDeN;Ct_rad/N] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction CN(77)+CH2NH(25)=HCN(28)+HCNH(69) 1.023883e+07 1.828 13.825 ! Reaction index: Chemkin #974; RMG #2658 ! Template reaction: Disproportionation ! Flux pairs: CN(77), C2H5N(20); C2H6N(13), HCN(28); ! Estimated using template [Y_rad;N3s/H2_s_Cssrad] for rate rule [Ct_rad/Nt;N3s/H2_s_Cssrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation CN(77)+C2H6N(13)=HCN(28)+C2H5N(20) 3.200000e+06 1.870 -0.630 ! Reaction index: Chemkin #975; RMG #2659 ! Template reaction: Disproportionation ! Estimated using template [Ct_rad;C/H2/Nd_Rrad] for rate rule [Ct_rad/Nt;C/H2/Nd_Nrad] ! Euclidian distance = 1.4142135623730951 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation CN(77)+C2H6N(14)=HCN(28)+C2H5N(20) 1.206000e+13 0.000 0.000 ! Reaction index: Chemkin #976; RMG #2755 ! Template reaction: CO_Disproportionation ! Flux pairs: CN(77), HCN(28); HCO(32), CO(30); ! Estimated using template [Y_rad;HCO] for rate rule [Ct_rad/Nt;HCO] ! Euclidian distance = 2.0 ! family: CO_Disproportionation CN(77)+HCO(32)=CO(30)+HCN(28) 1.347651e+15 -0.548 0.393 ! Reaction index: Chemkin #977; RMG #3196 ! Template reaction: H_Abstraction ! Flux pairs: CH2NH(25), H2CN(68); CN(77), HCN(28); ! Estimated using template [N3d/H/NonDeC;Y_rad] for rate rule [N3d/H/NonDeC;Ct_rad/N] ! Euclidian distance = 2.0 ! family: H_Abstraction CN(77)+CH2NH(25)=HCN(28)+H2CN(68) 1.200000e+06 2.000 -0.090 ! Reaction index: Chemkin #978; RMG #3333 ! Template reaction: Disproportionation ! Flux pairs: CN(77), C2H2(39); C2H3(46), HCN(28); ! Estimated using template [Y_rad;Cds/H2_d_Rrad] for rate rule [Ct_rad/Nt;Cds/H2_d_Crad] ! Euclidian distance = 2.23606797749979 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation CN(77)+C2H3(46)=HCN(28)+C2H2(39) 8.204641e+06 1.877 -1.115 ! Reaction index: Chemkin #979; RMG #3496 ! Template reaction: H_Abstraction ! Flux pairs: CH3(15), CH2(T)(35); CN(77), HCN(28); ! Estimated using template [CH3_rad_H;Y_rad] for rate rule [CH3_rad_H;Ct_rad/N] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction CN(77)+CH3(15)=HCN(28)+CH2(T)(35) 4.800000e+06 1.870 7.570 ! Reaction index: Chemkin #980; RMG #3621 ! Template reaction: H_Abstraction ! Flux pairs: CH2(S)(41), CH(34); CN(77), HCN(28); ! Estimated using template [X_H_or_Xrad_H_Xbirad_H_Xtrirad_H;Ct_rad/N] for rate rule [CH2_singlet_H;Ct_rad/N] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction CN(77)+CH2(S)(41)=CH(34)+HCN(28) 1.492353e+10 1.048 2.483 ! Reaction index: Chemkin #981; RMG #5929 ! PDep reaction: PDepNetwork #206 ! Flux pairs: CN(77), HCN(28); CH3(15), CH2(S)(41); CN(77)+CH3(15)(+M)=HCN(28)+CH2(S)(41)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 9.945e+00 -4.282e-02 -1.902e-02 -5.646e-03 / CHEB/ 1.088e+00 4.281e-02 1.867e-02 5.317e-03 / CHEB/ 3.057e-01 1.715e-03 1.083e-03 5.279e-04 / CHEB/ 9.789e-02 -1.427e-03 -6.146e-04 -1.663e-04 / CHEB/ 3.022e-02 -9.854e-04 -4.516e-04 -1.428e-04 / CHEB/ 8.109e-03 -3.166e-04 -1.520e-04 -5.265e-05 / ! Reaction index: Chemkin #982; RMG #3750 ! Template reaction: Disproportionation ! Estimated using template [Y_rad;CH_d_Rrad] for rate rule [Ct_rad/Nt;Cds/H/NonDe_d_Rrad] ! Euclidian distance = 2.8284271247461903 ! family: Disproportionation CN(77)+CH3CHN(22)=HCN(28)+CH3CN(29) 4.301018e+06 1.908 -1.134 ! Reaction index: Chemkin #983; RMG #5928 ! PDep reaction: PDepNetwork #206 ! Flux pairs: CN(77), CH3CN(29); CH3(15), CH3CN(29); CN(77)+CH3(15)(+M)=CH3CN(29)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.190e+01 9.462e-01 -2.379e-02 -7.003e-03 / CHEB/ -6.715e-01 4.085e-02 1.754e-02 4.813e-03 / CHEB/ -2.982e-01 4.888e-03 2.450e-03 9.020e-04 / CHEB/ -1.447e-01 1.017e-03 4.998e-04 1.822e-04 / CHEB/ -6.832e-02 2.654e-05 2.524e-05 1.676e-05 / CHEB/ -3.170e-02 -8.667e-05 -3.688e-05 -9.707e-06 / ! Reaction index: Chemkin #984; RMG #3968 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(23), C2H4N(151); CN(77), HCN(28); ! Estimated using template [Cd/H2/NonDeC;Y_rad] for rate rule [Cd/H2/NonDeC;Ct_rad/N] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction CN(77)+C2H5N(23)=HCN(28)+C2H4N(151) 1.026000e+13 0.000 26.090 ! Reaction index: Chemkin #985; RMG #4232 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(23), C2H4N(150); CN(77), HCN(28); ! Estimated using template [Cd_sec;Ct_rad] for rate rule [Cd/H/NonDeN;Ct_rad/N] ! Euclidian distance = 1.4142135623730951 ! family: H_Abstraction CN(77)+C2H5N(23)=HCN(28)+C2H4N(150) 1.210000e+12 0.000 0.000 ! Reaction index: Chemkin #986; RMG #4617 ! Template reaction: Disproportionation ! Estimated using template [Y_rad;Cdpri_Csrad] for rate rule [Ct_rad/Nt;Cdpri_Csrad] ! Euclidian distance = 2.0 ! family: Disproportionation CN(77)+C2H3N(165)=HCN(28)+CH2CN(124) 3.010000e+12 0.000 6.000 ! Reaction index: Chemkin #987; RMG #4620 ! Template reaction: H_Abstraction ! Flux pairs: CH2CNH(27), CH2CN(124); CN(77), HCN(28); ! Estimated using average of templates [N3_H;Ct_rad/N] + [N3d/H/OneDe;Y_rad] for rate rule [N3d/H/OneDe;Ct_rad/N] ! Euclidian distance = 2.0 ! family: H_Abstraction CN(77)+CH2CNH(27)=HCN(28)+CH2CN(124) 3.008177e+11 0.296 6.208 ! Reaction index: Chemkin #988; RMG #4622 ! Template reaction: H_Abstraction ! Flux pairs: CH3CN(29), CH2CN(124); CN(77), HCN(28); ! Estimated using template [C/H3/Ct;Y_rad] for rate rule [C/H3/Ct;Ct_rad/N] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction CN(77)+CH3CN(29)=HCN(28)+CH2CN(124) 4.822588e+02 3.145 5.350 ! Reaction index: Chemkin #989; RMG #5931 ! PDep reaction: PDepNetwork #207 ! Flux pairs: CN(77), CH2CN(124); CH2(T)(35), CH2CN(124); CN(77)+CH2(T)(35)(+M)=CH2CN(124)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.136e+01 9.625e-01 -1.697e-02 -5.229e-03 / CHEB/ -6.145e-01 3.623e-02 1.606e-02 4.735e-03 / CHEB/ -2.760e-01 9.404e-04 7.150e-04 4.092e-04 / CHEB/ -1.269e-01 -2.859e-04 -1.257e-04 -3.314e-05 / CHEB/ -4.589e-02 -7.659e-04 -3.564e-04 -1.163e-04 / CHEB/ -9.781e-03 -8.050e-04 -3.700e-04 -1.180e-04 / ! Reaction index: Chemkin #990; RMG #5096 ! Template reaction: Disproportionation ! Flux pairs: CN(77), C2H3N(178); C2H4N(164), HCN(28); ! Estimated using template [Y_rad;N3H_s_Rrad] for rate rule [Ct_rad/Nt;N3s/H/NonDe_s_Rrad] ! Euclidian distance = 2.23606797749979 ! family: Disproportionation CN(77)+C2H4N(164)=HCN(28)+C2H3N(178) 4.195969e+06 1.909 -0.511 ! Reaction index: Chemkin #991; RMG #5366 ! Template reaction: H_Abstraction ! Flux pairs: C2H4(24), C2H3(46); CN(77), HCN(28); ! Estimated using template [Cd/H2/NonDeC;Y_rad] for rate rule [Cd/H2/NonDeC;Ct_rad/N] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 4.0 ! family: H_Abstraction CN(77)+C2H4(24)=HCN(28)+C2H3(46) 2.052000e+13 0.000 26.090 ! Reaction index: Chemkin #992; RMG #5920 ! PDep reaction: PDepNetwork #17 ! Flux pairs: C2H4(24), C2H5(48); CH3(15), CH2(S)(41); CH3(15)+C2H4(24)(+M)=CH2(S)(41)+C2H5(48)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ -2.090e+01 -5.832e-03 -2.768e-03 -9.420e-04 / CHEB/ 2.732e+01 7.075e-03 3.349e-03 1.133e-03 / CHEB/ 1.767e-02 -1.472e-03 -6.870e-04 -2.257e-04 / CHEB/ -2.578e-03 -3.320e-04 -1.625e-04 -5.870e-05 / CHEB/ -4.155e-03 -3.923e-05 -1.900e-05 -6.750e-06 / CHEB/ -2.998e-03 6.248e-05 2.982e-05 1.026e-05 / ! Reaction index: Chemkin #993; RMG #5921 ! PDep reaction: PDepNetwork #17 ! Flux pairs: C2H4(24), C2H5(48); CH3(15), CH2(T)(35); CH3(15)+C2H4(24)(+M)=CH2(T)(35)+C2H5(48)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ -1.636e+01 -9.073e-03 -4.279e-03 -1.438e-03 / CHEB/ 2.458e+01 1.121e-02 5.267e-03 1.755e-03 / CHEB/ 1.433e-02 -2.399e-03 -1.101e-03 -3.499e-04 / CHEB/ -6.205e-03 -4.851e-04 -2.416e-04 -8.984e-05 / CHEB/ -6.162e-03 -3.845e-05 -1.881e-05 -6.859e-06 / CHEB/ -3.718e-03 1.035e-04 4.931e-05 1.692e-05 / ! Reaction index: Chemkin #994; RMG #487 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: HCN(28), NCO(76); O(6), H(5); O(6)+HCN(28)=H(5)+NCO(76) 2.000000e+08 1.470 7.586 ! Reaction index: Chemkin #995; RMG #496 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: CN(77), NCO(76); O2(2), O(6); O2(2)+CN(77)=O(6)+NCO(76) 1.000000e+13 0.000 0.000 ! Reaction index: Chemkin #996; RMG #497 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: CN(77), NCO(76); OH(3), H(5); OH(3)+CN(77)=H(5)+NCO(76) 4.000000e+13 0.000 0.000 ! Reaction index: Chemkin #997; RMG #569 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: NCO(76), CO(30); H(5), NH(T)(59); H(5)+NCO(76)=NH(T)(59)+CO(30) 5.200000e+13 0.000 0.000 ! Reaction index: Chemkin #998; RMG #918 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: CO2(31), NCO(76); CN(77), CO(30); CO2(31)+CN(77)=CO(30)+NCO(76) 3.700000e+06 2.200 26.900 ! Reaction index: Chemkin #999; RMG #933 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: CH3CN(29), NCO(76); O(6), CH3(15); O(6)+CH3CN(29)=NCO(76)+CH3(15) 1.500000e+04 2.600 4.980 ! Reaction index: Chemkin #1000; RMG #5936 ! PDep reaction: PDepNetwork #204 ! Flux pairs: O(6), NCO(76); CN(77), NCO(76); O(6)+CN(77)(+M)=NCO(76)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.000e+01 9.877e-01 -5.777e-03 -1.937e-03 / CHEB/ -1.865e-01 1.066e-02 4.988e-03 1.648e-03 / CHEB/ -1.213e-01 3.155e-04 1.726e-04 7.413e-05 / CHEB/ -5.715e-02 -1.044e-04 -4.759e-05 -1.479e-05 / CHEB/ -2.612e-02 -3.996e-05 -1.917e-05 -6.654e-06 / CHEB/ -1.179e-02 -1.273e-05 -6.150e-06 -2.168e-06 / ! Reaction index: Chemkin #1001; RMG #6291 ! PDep reaction: PDepNetwork #100 ! Flux pairs: C2H2(39), C2H3(46); CH3(15), CH2(S)(41); CH3(15)+C2H2(39)(+M)=CH2(S)(41)+C2H3(46)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ -2.096e+01 -5.248e-04 -2.515e-04 -8.727e-05 / CHEB/ 2.725e+01 6.352e-04 3.043e-04 1.056e-04 / CHEB/ -2.211e-02 -1.212e-04 -5.796e-05 -2.004e-05 / CHEB/ -8.995e-03 -1.765e-05 -8.496e-06 -2.974e-06 / CHEB/ -6.147e-03 -4.677e-06 -2.245e-06 -7.819e-07 / CHEB/ -5.311e-03 -6.870e-06 -3.290e-06 -1.140e-06 / ! Reaction index: Chemkin #1002; RMG #482 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: HCN(28), HNCO(74); OH(3), H(5); OH(3)+HCN(28)=H(5)+HNCO(74) 4.400000e+03 2.260 6.395 ! Reaction index: Chemkin #1003; RMG #490 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: HNC(87), HNCO(74); OH(3), H(5); OH(3)+HNC(87)=H(5)+HNCO(74) 2.800000e+13 0.000 3.694 ! Reaction index: Chemkin #1004; RMG #491 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: HNC(87), HNCO(74); O2(2), O(6); O2(2)+HNC(87)=O(6)+HNCO(74) 1.500000e+12 0.010 4.111 ! Reaction index: Chemkin #1005; RMG #514 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: H2CN(68), HNCO(74); O(6), H(5); O(6)+H2CN(68)=H(5)+HNCO(74) 6.000000e+13 0.000 0.000 ! Reaction index: Chemkin #1006; RMG #519 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: HCNH(69), HNCO(74); O(6), H(5); O(6)+HCNH(69)=H(5)+HNCO(74) 7.000000e+13 0.000 0.000 ! Reaction index: Chemkin #1007; RMG #566 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: NCO(76), HNCO(74); H2(7), H(5); H2(7)+NCO(76)=H(5)+HNCO(74) 7.600000e+02 3.000 3.972 ! Reaction index: Chemkin #1008; RMG #571 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: NCO(76), HNCO(74); OH(3), O(6); OH(3)+NCO(76)=O(6)+HNCO(74) 7.800000e+04 2.270 -0.993 ! Reaction index: Chemkin #1009; RMG #576 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: NCO(76), HNCO(74); CH4(16), CH3(15); NCO(76)+CH4(16)=HNCO(74)+CH3(15) 9.800000e+12 0.000 8.122 ! Reaction index: Chemkin #1010; RMG #591 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: HNCO(74), NH(T)(59); HNCO(74), CO(30); HNCO(74)+M=NH(T)(59)+CO(30)+M 1.300e+16 0.000 84.320 ! Reaction index: Chemkin #1011; RMG #594 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: HNCO(74), CO2(31); O(6), NH(T)(59); O(6)+HNCO(74)=NH(T)(59)+CO2(31) 1.700000e+06 2.080 0.000 ! Reaction index: Chemkin #1012; RMG #596 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: HNCO(74), NCO(76); OH(3), H2O(8); OH(3)+HNCO(74)=H2O(8)+NCO(76) 5.200000e+10 -0.030 17.555 ! Reaction index: Chemkin #1013; RMG #896 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: HNCO(74), NCO(76); CN(77), HCN(28); CN(77)+HNCO(74)=NCO(76)+HCN(28) 1.000000e+13 0.000 0.000 ! Reaction index: Chemkin #1014; RMG #899 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: HNCO(74), NCO(76); HO2(10), H2O2(11); HO2(10)+HNCO(74)=H2O2(11)+NCO(76) 3.000000e+11 0.000 22.000 ! Reaction index: Chemkin #1015; RMG #910 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: NCO(76), HNCO(74); HO2(10), O2(2); HO2(10)+NCO(76)=O2(2)+HNCO(74) 2.000000e+13 0.000 0.000 ! Reaction index: Chemkin #1016; RMG #922 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: NCO(76), HNCO(74); CH2O(36), HCO(32); NCO(76)+CH2O(36)=HCO(32)+HNCO(74) 6.000000e+12 0.000 0.000 ! Reaction index: Chemkin #1017; RMG #928 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: NCO(76), HNCO(74); HCO(32), CO(30); NCO(76)+HCO(32)=CO(30)+HNCO(74) 3.600000e+13 0.000 0.000 ! Reaction index: Chemkin #1018; RMG #962 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: C2H6(47), C2H5(48); NCO(76), HNCO(74); NCO(76)+C2H6(47)=HNCO(74)+C2H5(48) 1.500000e-09 6.900 -2.910 ! Reaction index: Chemkin #1019; RMG #5969 ! Template reaction: H_Abstraction ! Flux pairs: NCO(76), HNCO(74); NCC(1), C2H6N(14); ! Estimated using template [N3s_H;N3d_rad/OneDeCdd_O] for rate rule [N3s/H2/NonDeC;N3d_rad/OneDeCdd_O] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction NCO(76)+NCC(1)=HNCO(74)+C2H6N(14) 5.600000e+04 2.480 7.340 ! Reaction index: Chemkin #1020; RMG #5970 ! Template reaction: H_Abstraction ! Flux pairs: NCO(76), HNCO(74); NCC(1), C2H6N(13); ! Estimated using template [Cs_H;N3d_rad/OneDeCdd_O] for rate rule [C/H2/NonDeN;N3d_rad/OneDeCdd_O] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction NCO(76)+NCC(1)=HNCO(74)+C2H6N(13) 1.960000e+13 0.000 8.130 ! Reaction index: Chemkin #1021; RMG #5971 ! Template reaction: H_Abstraction ! Flux pairs: NCO(76), HNCO(74); NCC(1), C2H6N(12); ! Estimated using template [Cs_H;N3d_rad/OneDeCdd_O] for rate rule [C/H3/Cs;N3d_rad/OneDeCdd_O] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction NCO(76)+NCC(1)=HNCO(74)+C2H6N(12) 2.940000e+13 0.000 8.130 ! Reaction index: Chemkin #1022; RMG #5979 ! Template reaction: H_Abstraction ! Flux pairs: NCO(76), HNCO(74); CH3(15), CH2(T)(35); ! Estimated using template [X_H_or_Xrad_H_Xbirad_H_Xtrirad_H;N3d_rad/OneDeCdd_O] for rate rule [CH3_rad_H;N3d_rad/OneDeCdd_O] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction NCO(76)+CH3(15)=HNCO(74)+CH2(T)(35) 1.779046e+07 1.827 6.480 ! Reaction index: Chemkin #1023; RMG #5986 ! Template reaction: Disproportionation ! Flux pairs: CH2NH2(26), CH2NH(25); NCO(76), HNCO(74); ! Estimated using template [N3_rad;N3s/H2_s_Rrad] for rate rule [N3d_rad/C;N3s/H2_s_Cssrad] ! Euclidian distance = 2.8284271247461903 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation NCO(76)+CH2NH2(26)=HNCO(74)+CH2NH(25) 1.819890e+06 1.940 -1.150 ! Reaction index: Chemkin #1024; RMG #5994 ! Template reaction: H_Abstraction ! Flux pairs: NCO(76), HNCO(74); C2H4(24), C2H3(46); ! Estimated using template [X_H;N3d_rad/OneDeCdd_O] for rate rule [Cd/H2/NonDeC;N3d_rad/OneDeCdd_O] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 4.0 ! family: H_Abstraction NCO(76)+C2H4(24)=HNCO(74)+C2H3(46) 2.372061e+07 1.827 6.480 ! Reaction index: Chemkin #1025; RMG #6008 ! Template reaction: H_Abstraction ! Flux pairs: NCO(76), HNCO(74); CH2NH(25), H2CN(68); ! Estimated using template [N3_H;N3d_rad/OneDeCdd_O] for rate rule [N3d/H/NonDeC;N3d_rad/OneDeCdd_O] ! Euclidian distance = 3.0 ! family: H_Abstraction NCO(76)+CH2NH(25)=HNCO(74)+H2CN(68) 2.800000e+04 2.480 7.340 ! Reaction index: Chemkin #1026; RMG #6009 ! Template reaction: H_Abstraction ! Flux pairs: NCO(76), HNCO(74); CH2NH(25), HCNH(69); ! Estimated using template [X_H;N3d_rad/OneDeCdd_O] for rate rule [Cd/H2/NonDeN;N3d_rad/OneDeCdd_O] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction NCO(76)+CH2NH(25)=HNCO(74)+HCNH(69) 1.186031e+07 1.827 6.480 ! Reaction index: Chemkin #1027; RMG #6019 ! Template reaction: Disproportionation ! Flux pairs: C2H6N(13), C2H5N(20); NCO(76), HNCO(74); ! Estimated using template [N3_rad;N3s/H2_s_Rrad] for rate rule [N3d_rad/C;N3s/H2_s_Cssrad] ! Euclidian distance = 2.8284271247461903 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation NCO(76)+C2H6N(13)=HNCO(74)+C2H5N(20) 1.819890e+06 1.940 -1.150 ! Reaction index: Chemkin #1028; RMG #6020 ! Template reaction: Disproportionation ! Flux pairs: C2H6N(13), C2H5N(23); NCO(76), HNCO(74); ! Estimated using template [N3d_rad/C;XH_s_Rrad] for rate rule [N3d_rad/C;Cmethyl_Csrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation NCO(76)+C2H6N(13)=HNCO(74)+C2H5N(23) 4.200000e+04 2.690 -1.610 ! Reaction index: Chemkin #1029; RMG #6037 ! Template reaction: H_Abstraction ! Flux pairs: NCO(76), HNCO(74); C2H5N(23), C2H4N(21); ! Estimated using template [N3s_H;N3d_rad/OneDeCdd_O] for rate rule [N3s/H2/OneDe;N3d_rad/OneDeCdd_O] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction NCO(76)+C2H5N(23)=HNCO(74)+C2H4N(21) 5.600000e+04 2.480 7.340 ! Reaction index: Chemkin #1030; RMG #6038 ! Template reaction: H_Abstraction ! Flux pairs: NCO(76), HNCO(74); C2H5N(23), C2H4N(150); ! Estimated using template [X_H;N3d_rad/OneDeCdd_O] for rate rule [Cd/H/NonDeN;N3d_rad/OneDeCdd_O] ! Euclidian distance = 3.0 ! family: H_Abstraction NCO(76)+C2H5N(23)=HNCO(74)+C2H4N(150) 5.930153e+06 1.827 6.480 ! Reaction index: Chemkin #1031; RMG #6039 ! Template reaction: H_Abstraction ! Flux pairs: NCO(76), HNCO(74); C2H5N(23), C2H4N(151); ! Estimated using template [X_H;N3d_rad/OneDeCdd_O] for rate rule [Cd/H2/NonDeC;N3d_rad/OneDeCdd_O] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction NCO(76)+C2H5N(23)=HNCO(74)+C2H4N(151) 1.186031e+07 1.827 6.480 ! Reaction index: Chemkin #1032; RMG #6049 ! Template reaction: Disproportionation ! Flux pairs: C2H6N(12), C2H5N(23); NCO(76), HNCO(74); ! Estimated using template [N3d_rad/C;XH_s_Rrad] for rate rule [N3d_rad/C;Cpri_Rrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation NCO(76)+C2H6N(12)=HNCO(74)+C2H5N(23) 2.800000e+04 2.690 -1.610 ! Reaction index: Chemkin #1033; RMG #6064 ! Template reaction: Disproportionation ! Flux pairs: C2H6N(14), C2H5N(20); NCO(76), HNCO(74); ! Estimated using template [N3d_rad/C;XH_s_Rrad] for rate rule [N3d_rad/C;C/H2/Nd_Nrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation NCO(76)+C2H6N(14)=HNCO(74)+C2H5N(20) 2.800000e+04 2.690 -1.610 ! Reaction index: Chemkin #1034; RMG #6086 ! Template reaction: Disproportionation ! Flux pairs: C2H4N(21), CH2CNH(27); NCO(76), HNCO(74); ! Estimated using template [N3d_rad/C;XH_s_Rrad] for rate rule [N3d_rad/C;Cdpri_Csrad] ! Euclidian distance = 2.0 ! family: Disproportionation NCO(76)+C2H4N(21)=HNCO(74)+CH2CNH(27) 1.400000e+04 2.690 -1.610 ! Reaction index: Chemkin #1035; RMG #6091 ! Template reaction: H_Abstraction ! Flux pairs: NCO(76), HNCO(74); C2H4N(21), C2H3N(165); ! Estimated using template [N3_H;N3d_rad/OneDeCdd_O] for rate rule [N3d/H/NonDe;N3d_rad/OneDeCdd_O] ! Euclidian distance = 2.0 ! family: H_Abstraction NCO(76)+C2H4N(21)=HNCO(74)+C2H3N(165) 2.800000e+04 2.480 7.340 ! Reaction index: Chemkin #1036; RMG #6098 ! Template reaction: Disproportionation ! Flux pairs: CH3CHN(22), CH3CN(29); NCO(76), HNCO(74); ! Estimated using template [N3_rad;CH_d_Rrad] for rate rule [N3d_rad/C;Cds/H/NonDe_d_Rrad] ! Euclidian distance = 2.8284271247461903 ! family: Disproportionation NCO(76)+CH3CHN(22)=HNCO(74)+CH3CN(29) 1.286857e+06 1.940 -1.150 ! Reaction index: Chemkin #1037; RMG #6101 ! Template reaction: H_Abstraction ! Flux pairs: NCO(76), HNCO(74); CH3CHN(22), C2H3N(165); ! Estimated using template [Cs_H;N3d_rad/OneDeCdd_O] for rate rule [C/H3/OneDe;N3d_rad/OneDeCdd_O] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction NCO(76)+CH3CHN(22)=HNCO(74)+C2H3N(165) 2.940000e+13 0.000 8.130 ! Reaction index: Chemkin #1038; RMG #6114 ! Template reaction: H_Abstraction ! Flux pairs: NCO(76), HNCO(74); CH2CNH(27), CH2CN(124); ! Estimated using template [N3_H;N3d_rad/OneDeCdd_O] for rate rule [N3d/H/OneDe;N3d_rad/OneDeCdd_O] ! Euclidian distance = 2.0 ! family: H_Abstraction NCO(76)+CH2CNH(27)=HNCO(74)+CH2CN(124) 2.800000e+04 2.480 7.340 ! Reaction index: Chemkin #1039; RMG #6122 ! Template reaction: Disproportionation ! Flux pairs: C2H3N(165), CH2CN(124); NCO(76), HNCO(74); ! Estimated using template [N3d_rad;XH_d_Rrad] for rate rule [N3d_rad/C;CH_d_Rrad] ! Euclidian distance = 1.4142135623730951 ! family: Disproportionation NCO(76)+C2H3N(165)=HNCO(74)+CH2CN(124) 1.200000e+06 2.000 -1.190 ! Reaction index: Chemkin #1040; RMG #6134 ! Template reaction: Disproportionation ! Flux pairs: HCNH(69), HCN(28); NCO(76), HNCO(74); ! Estimated using template [N3d_rad;N3d/H_d_Rrad] for rate rule [N3d_rad/C;N3d/H_d_Crad] ! Euclidian distance = 1.4142135623730951 ! family: Disproportionation NCO(76)+HCNH(69)=HCN(28)+HNCO(74) 1.200000e+06 2.000 -1.190 ! Reaction index: Chemkin #1041; RMG #6150 ! Template reaction: H_Abstraction ! Flux pairs: NCO(76), HNCO(74); C2H5N(20), CH3CHN(22); ! Estimated using template [N3_H;N3d_rad/OneDeCdd_O] for rate rule [N3d/H/NonDeC;N3d_rad/OneDeCdd_O] ! Euclidian distance = 3.0 ! family: H_Abstraction NCO(76)+C2H5N(20)=HNCO(74)+CH3CHN(22) 2.800000e+04 2.480 7.340 ! Reaction index: Chemkin #1042; RMG #6151 ! Template reaction: H_Abstraction ! Flux pairs: NCO(76), HNCO(74); C2H5N(20), C2H4N(21); ! Estimated using template [Cs_H;N3d_rad/OneDeCdd_O] for rate rule [C/H3/OneDe;N3d_rad/OneDeCdd_O] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction NCO(76)+C2H5N(20)=HNCO(74)+C2H4N(21) 2.940000e+13 0.000 8.130 ! Reaction index: Chemkin #1043; RMG #6166 ! Template reaction: Disproportionation ! Flux pairs: C2H4N(164), C2H3N(178); NCO(76), HNCO(74); ! Estimated using template [N3_rad;N3H_s_Rrad] for rate rule [N3d_rad/C;N3s/H/NonDe_s_Rrad] ! Euclidian distance = 2.23606797749979 ! family: Disproportionation NCO(76)+C2H4N(164)=HNCO(74)+C2H3N(178) 9.099451e+05 1.940 -1.150 ! Reaction index: Chemkin #1044; RMG #6181 ! Template reaction: Disproportionation ! Flux pairs: H2CN(68), HCN(28); NCO(76), HNCO(74); ! Estimated using template [N3_rad;Cds/H2_d_N3rad] for rate rule [N3d_rad/C;Cds/H2_d_N3rad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation NCO(76)+H2CN(68)=HCN(28)+HNCO(74) 1.840000e+06 1.940 -1.150 ! Reaction index: Chemkin #1045; RMG #6192 ! Template reaction: H_Abstraction ! Flux pairs: NCO(76), HNCO(74); CH2(S)(41), CH(34); ! Estimated using template [X_H_or_Xrad_H_Xbirad_H_Xtrirad_H;N3d_rad/OneDeCdd_O] for rate rule [CH2_singlet_H;N3d_rad/OneDeCdd_O] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction NCO(76)+CH2(S)(41)=CH(34)+HNCO(74) 1.186031e+07 1.827 6.480 ! Reaction index: Chemkin #1046; RMG #6207 ! Template reaction: H_Abstraction ! Flux pairs: NCO(76), HNCO(74); CH3CN(29), CH2CN(124); ! Estimated using template [Cs_H;N3d_rad/OneDeCdd_O] for rate rule [C/H3/Ct;N3d_rad/OneDeCdd_O] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction NCO(76)+CH3CN(29)=HNCO(74)+CH2CN(124) 2.940000e+13 0.000 8.130 ! Reaction index: Chemkin #1047; RMG #6229 ! Template reaction: Disproportionation ! Flux pairs: C2H4N(150), CH2CNH(27); NCO(76), HNCO(74); ! Estimated using template [N3_rad;N3s/H2_s_Rrad] for rate rule [N3d_rad/C;N3s/H2_s_Cdsrad] ! Euclidian distance = 2.8284271247461903 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation NCO(76)+C2H4N(150)=HNCO(74)+CH2CNH(27) 1.819890e+06 1.940 -1.150 ! Reaction index: Chemkin #1048; RMG #6239 ! Template reaction: Disproportionation ! Flux pairs: C2H5(48), C2H4(24); NCO(76), HNCO(74); ! Estimated using template [N3d_rad/C;XH_s_Rrad] for rate rule [N3d_rad/C;Cmethyl_Csrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation NCO(76)+C2H5(48)=HNCO(74)+C2H4(24) 4.200000e+04 2.690 -1.610 ! Reaction index: Chemkin #1049; RMG #6269 ! Template reaction: Disproportionation ! Flux pairs: C2H3(46), C2H2(39); NCO(76), HNCO(74); ! Estimated using template [N3_rad;Cds/H2_d_Rrad] for rate rule [N3d_rad/C;Cds/H2_d_Crad] ! Euclidian distance = 2.23606797749979 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation NCO(76)+C2H3(46)=HNCO(74)+C2H2(39) 2.573713e+06 1.940 -1.150 ! Reaction index: Chemkin #1050; RMG #6281 ! PDep reaction: PDepNetwork #215 ! Flux pairs: H(5), HNCO(74); NCO(76), HNCO(74); H(5)+NCO(76)(+M)=HNCO(74)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.325e+01 2.849e-01 -3.515e-02 1.783e-03 / CHEB/ -5.651e-01 3.009e-01 -9.657e-03 -3.305e-03 / CHEB/ -3.621e-01 9.318e-02 7.764e-03 -9.500e-04 / CHEB/ -1.655e-01 1.910e-02 3.733e-03 3.659e-04 / CHEB/ -6.551e-02 1.845e-03 1.019e-03 1.999e-04 / CHEB/ -2.547e-02 3.414e-03 -9.499e-06 9.335e-06 / ! Reaction index: Chemkin #1051; RMG #6548 ! PDep reaction: PDepNetwork #175 ! Flux pairs: NH(T)(59), C2H5N(20); C2H4(24), C2H5N(20); NH(T)(59)+C2H4(24)(+M)=C2H5N(20)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.116e+01 -4.563e-02 -3.911e-02 6.560e-03 / CHEB/ 6.268e-01 4.391e-01 -1.587e-02 -8.718e-03 / CHEB/ -2.184e-01 2.208e-01 1.479e-02 4.305e-03 / CHEB/ -2.743e-01 6.654e-02 2.966e-03 1.876e-03 / CHEB/ -1.733e-01 1.426e-02 -6.303e-04 -1.341e-03 / CHEB/ -8.290e-02 1.300e-03 1.611e-03 -8.831e-04 / ! Reaction index: Chemkin #1052; RMG #6549 ! PDep reaction: PDepNetwork #175 ! Flux pairs: NH(T)(59), C2H5N(152); C2H4(24), C2H5N(152); NH(T)(59)+C2H4(24)(+M)=C2H5N(152)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 7.910e+00 -3.246e-01 -1.310e-01 -1.761e-03 / CHEB/ 4.007e+00 7.937e-01 2.566e-04 -4.837e-03 / CHEB/ 3.623e-01 1.795e-01 1.556e-02 -4.027e-04 / CHEB/ 1.305e-01 1.621e-02 9.731e-05 -2.304e-03 / CHEB/ -1.896e-02 -4.015e-02 -5.477e-03 -1.121e-03 / CHEB/ -9.828e-02 -5.453e-02 -2.388e-03 1.436e-03 / ! Reaction index: Chemkin #1053; RMG #6550 ! PDep reaction: PDepNetwork #175 ! Flux pairs: C2H4(24), C2H4N(21); NH(T)(59), H(5); NH(T)(59)+C2H4(24)(+M)=H(5)+C2H4N(21)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 8.826e+00 -8.348e-01 -5.469e-02 2.169e-03 / CHEB/ 3.326e+00 5.778e-01 2.538e-03 -3.064e-04 / CHEB/ 3.858e-01 1.563e-01 1.256e-02 3.112e-03 / CHEB/ -1.434e-02 -1.538e-02 2.382e-03 -1.045e-04 / CHEB/ -3.545e-02 -4.827e-02 2.914e-04 1.069e-03 / CHEB/ -3.848e-02 -3.320e-02 2.426e-04 1.118e-03 / ! Reaction index: Chemkin #1054; RMG #6551 ! PDep reaction: PDepNetwork #175 ! Flux pairs: C2H4(24), CH2NH(25); NH(T)(59), CH2(T)(35); NH(T)(59)+C2H4(24)(+M)=CH2(T)(35)+CH2NH(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 6.579e-01 -4.173e-02 -1.164e-02 -1.295e-03 / CHEB/ 5.931e+00 1.010e-02 5.545e-03 2.364e-03 / CHEB/ -6.150e-01 -7.394e-03 6.126e-04 1.297e-03 / CHEB/ -2.116e-01 -1.059e-02 -1.153e-03 7.559e-04 / CHEB/ -7.706e-02 -5.557e-03 -8.805e-04 2.801e-04 / CHEB/ -4.054e-02 -4.354e-05 4.185e-05 1.426e-05 / ! Reaction index: Chemkin #1055; RMG #6552 ! PDep reaction: PDepNetwork #175 ! Flux pairs: C2H4(24), C2H2(39); NH(T)(59), NH3(17); NH(T)(59)+C2H4(24)(+M)=NH3(17)+C2H2(39)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 9.555e+00 -9.639e-01 -5.171e-02 6.887e-03 / CHEB/ 2.098e+00 5.230e-01 -2.023e-02 -6.353e-03 / CHEB/ 2.858e-01 2.147e-01 1.351e-02 3.904e-03 / CHEB/ -7.020e-02 3.570e-02 2.252e-03 -2.375e-04 / CHEB/ -8.355e-02 -1.770e-02 2.614e-04 -1.358e-03 / CHEB/ -5.896e-02 -2.920e-02 2.119e-03 6.895e-04 / ! Reaction index: Chemkin #1056; RMG #6553 ! PDep reaction: PDepNetwork #175 ! Flux pairs: C2H4(24), C2H4N(150); NH(T)(59), H(5); NH(T)(59)+C2H4(24)(+M)=H(5)+C2H4N(150)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ -6.883e+00 -7.807e-02 -2.300e-02 -1.812e-03 / CHEB/ 1.682e+01 -8.653e-02 -2.288e-02 4.351e-04 / CHEB/ 9.281e-01 -7.993e-02 -2.121e-02 -4.759e-05 / CHEB/ -2.902e-01 -5.355e-02 -1.334e-02 5.327e-04 / CHEB/ -4.021e-01 -2.360e-02 -5.180e-03 7.209e-04 / CHEB/ -2.474e-01 6.156e-04 1.119e-03 5.933e-04 / ! Reaction index: Chemkin #1057; RMG #6554 ! PDep reaction: PDepNetwork #175 ! Flux pairs: C2H4(24), C2H4N(151); NH(T)(59), H(5); NH(T)(59)+C2H4(24)(+M)=H(5)+C2H4N(151)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ -6.855e+00 -7.922e-02 -2.321e-02 -1.778e-03 / CHEB/ 1.681e+01 -8.676e-02 -2.284e-02 5.059e-04 / CHEB/ 9.123e-01 -7.937e-02 -2.093e-02 3.152e-05 / CHEB/ -2.997e-01 -5.272e-02 -1.294e-02 6.294e-04 / CHEB/ -4.037e-01 -2.276e-02 -4.832e-03 7.989e-04 / CHEB/ -2.447e-01 1.123e-03 1.286e-03 6.183e-04 / ! Reaction index: Chemkin #1058; RMG #6555 ! PDep reaction: PDepNetwork #175 ! Flux pairs: C2H4(24), CH2NH(25); NH(T)(59), CH2(S)(41); NH(T)(59)+C2H4(24)(+M)=CH2(S)(41)+CH2NH(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.091e+00 -7.654e-02 -1.778e-02 2.156e-05 / CHEB/ 9.018e+00 5.040e-02 1.123e-02 2.660e-04 / CHEB/ 3.777e-02 -1.072e-02 9.363e-04 1.568e-03 / CHEB/ 3.614e-03 -1.028e-02 -3.117e-04 1.248e-03 / CHEB/ -1.729e-03 -6.264e-03 -1.025e-03 4.301e-04 / CHEB/ -1.157e-02 -1.196e-03 -4.622e-04 -9.601e-05 / ! Reaction index: Chemkin #1059; RMG #6556 ! PDep reaction: PDepNetwork #175 ! Flux pairs: C2H4(24), CH3CHN(22); NH(T)(59), H(5); NH(T)(59)+C2H4(24)(+M)=H(5)+CH3CHN(22)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 8.268e+00 -8.057e-01 -4.793e-02 3.169e-04 / CHEB/ 3.375e+00 6.360e-01 1.223e-02 -1.249e-03 / CHEB/ 3.018e-01 1.802e-01 1.928e-02 2.939e-03 / CHEB/ -9.130e-02 -7.781e-03 8.451e-03 -1.829e-04 / CHEB/ -5.399e-02 -3.589e-02 3.446e-03 8.095e-04 / CHEB/ -1.669e-02 -2.088e-02 -6.286e-04 5.850e-04 / ! Reaction index: Chemkin #1060; RMG #6557 ! PDep reaction: PDepNetwork #175 ! Flux pairs: C2H4(24), HCNH(69); NH(T)(59), CH3(15); NH(T)(59)+C2H4(24)(+M)=HCNH(69)+CH3(15)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 8.498e+00 -7.885e-01 -5.367e-02 -1.152e-03 / CHEB/ 4.280e+00 5.850e-01 1.390e-02 1.558e-03 / CHEB/ 2.125e-01 1.782e-01 1.708e-02 7.733e-04 / CHEB/ -8.869e-02 6.255e-03 1.036e-02 5.777e-05 / CHEB/ -7.022e-02 -2.720e-02 4.108e-03 9.811e-04 / CHEB/ -3.134e-02 -1.694e-02 -1.145e-04 5.045e-04 / ! Reaction index: Chemkin #1061; RMG #332 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: CH3(15), H2CN(68); N(53), H(5); N(53)+CH3(15)=H(5)+H2CN(68) 6.100000e+14 -0.310 0.288 ! Reaction index: Chemkin #1062; RMG #333 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: CH3(15), HCN(28); N(53), H2(7); N(53)+CH3(15)=H2(7)+HCN(28) 3.700000e+12 0.150 -0.089 ! Reaction index: Chemkin #1063; RMG #334 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: CH3(15), HCNH(69); N(53), H(5); N(53)+CH3(15)=H(5)+HCNH(69) 1.200000e+11 0.520 -0.367 ! Reaction index: Chemkin #1064; RMG #356 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: OH(3), O(6); N(53), NH(T)(59); N(53)+OH(3)=O(6)+NH(T)(59) 6.400000e+12 0.100 21.249 ! Reaction index: Chemkin #1065; RMG #358 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: CH(34), CN(77); N(53), H(5); N(53)+CH(34)=H(5)+CN(77) 1.700000e+14 -0.090 0.000 ! Reaction index: Chemkin #1066; RMG #359 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: CH2(T)(35), HCN(28); N(53), H(5); N(53)+CH2(T)(35)=H(5)+HCN(28) 5.000000e+13 0.000 0.000 ! Reaction index: Chemkin #1067; RMG #367 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: OH(3), H2O(8); NH(T)(59), N(53); OH(3)+NH(T)(59)=N(53)+H2O(8) 1.200000e+06 2.000 -0.487 ! Reaction index: Chemkin #1068; RMG #368 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: NH(T)(59), N(53); H(5), H2(7); H(5)+NH(T)(59)=N(53)+H2(7) 3.500000e+13 0.000 1.728 ! Reaction index: Chemkin #1069; RMG #371 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: CH3(15), CH4(16); NH(T)(59), N(53); NH(T)(59)+CH3(15)=N(53)+CH4(16) 8.200000e+05 1.870 5.848 ! Reaction index: Chemkin #1070; RMG #495 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: CN(77), CO(30); O(6), N(53); O(6)+CN(77)=N(53)+CO(30) 7.700000e+13 0.000 0.000 ! Reaction index: Chemkin #1071; RMG #565 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: NCO(76), N(53); NCO(76), CO(30); NCO(76)+M=N(53)+CO(30)+M 3.300e+14 0.000 54.016 ! Reaction index: Chemkin #1072; RMG #568 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: NCO(76), CO2(31); O(6), N(53); O(6)+NCO(76)=N(53)+CO2(31) 8.000000e+12 0.000 2.502 ! Reaction index: Chemkin #1073; RMG #4792 ! Template reaction: H_Abstraction ! Flux pairs: HO2(10), H2O2(11); NH(T)(59), N(53); ! Estimated using average of templates [X_H_or_Xrad_H_Xbirad_H_Xtrirad_H;O_rad/NonDeO] + [NH_triplet_H;O_rad] for rate rule [NH_triplet_H;O_rad/NonDeO] ! Euclidian distance = 2.0 ! family: H_Abstraction HO2(10)+NH(T)(59)=N(53)+H2O2(11) 7.870017e+04 2.261 3.685 ! Reaction index: Chemkin #1074; RMG #4797 ! Template reaction: H_Abstraction ! Flux pairs: HO2(10), O2(2); N(53), NH(T)(59); ! Estimated using average of templates [X_H;N_atom_quartet] + [Orad_O_H;Y_rad_birad_trirad_quadrad] for rate rule [Orad_O_H;N_atom_quartet] ! Euclidian distance = 2.0 ! family: H_Abstraction N(53)+HO2(10)=O2(2)+NH(T)(59) 1.989924e+12 0.000 11.750 ! Reaction index: Chemkin #1075; RMG #4806 ! Template reaction: Disproportionation ! Flux pairs: N(53), NH(T)(59); C2H5(48), C2H4(24); ! Estimated using template [Y_rad_birad_trirad_quadrad;Cmethyl_Csrad] for rate rule [N_atom_quartet;Cmethyl_Csrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation N(53)+C2H5(48)=NH(T)(59)+C2H4(24) 3.903211e+13 -0.170 7.499 ! Reaction index: Chemkin #1076; RMG #4809 ! Template reaction: Disproportionation ! Flux pairs: N(53), NH(T)(59); CH2NH2(26), CH2NH(25); ! Estimated using template [Y_rad_birad_trirad_quadrad;N3s/H2_s_Cssrad] for rate rule [N_atom_quartet;N3s/H2_s_Cssrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation N(53)+CH2NH2(26)=NH(T)(59)+CH2NH(25) 4.595650e+07 1.685 -0.760 ! Reaction index: Chemkin #1077; RMG #4818 ! Template reaction: H_Abstraction ! Flux pairs: C2H6N(13), NCC(1); NH(T)(59), N(53); ! Estimated using template [NH_triplet_H;Cs_rad] for rate rule [NH_triplet_H;C_rad/H/NonDeCN] ! Euclidian distance = 2.0 ! family: H_Abstraction NH(T)(59)+C2H6N(13)=N(53)+NCC(1) 8.200000e+05 1.870 44.964 ! Reaction index: Chemkin #1078; RMG #4819 ! Template reaction: Disproportionation ! Flux pairs: N(53), NH(T)(59); C2H6N(12), C2H5N(23); ! Estimated using template [Y_rad_birad_trirad_quadrad;Cpri_Rrad] for rate rule [N_atom_quartet;Cpri_Rrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation N(53)+C2H6N(12)=NH(T)(59)+C2H5N(23) 4.844746e+11 0.081 2.192 ! Reaction index: Chemkin #1079; RMG #4820 ! Template reaction: Disproportionation ! Estimated using template [Y_rad_birad_trirad_quadrad;Cmethyl_Csrad] for rate rule [N_atom_quartet;Cmethyl_Csrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation N(53)+C2H6N(13)=NH(T)(59)+C2H5N(23) 3.903211e+13 -0.170 7.499 ! Reaction index: Chemkin #1080; RMG #4827 ! Template reaction: H_Abstraction ! Flux pairs: C2H6N(12), NCC(1); NH(T)(59), N(53); ! Estimated using average of templates [X_H_or_Xrad_H_Xbirad_H_Xtrirad_H;C_rad/H2/Cs] + [NH_triplet_H;Cs_rad] for rate rule [NH_triplet_H;C_rad/H2/Cs] ! Euclidian distance = 2.0 ! family: H_Abstraction NH(T)(59)+C2H6N(12)=N(53)+NCC(1) 7.828157e+02 2.631 24.675 ! Reaction index: Chemkin #1081; RMG #4831 ! Template reaction: H_Abstraction ! Flux pairs: C2H6N(14), NCC(1); NH(T)(59), N(53); ! Estimated using template [NH_triplet_H;N3s_rad] for rate rule [NH_triplet_H;N3s_rad_pri] ! Euclidian distance = 1.0 ! family: H_Abstraction NH(T)(59)+C2H6N(14)=N(53)+NCC(1) 9.200000e+05 1.940 24.191 ! Reaction index: Chemkin #1082; RMG #4843 ! Template reaction: H_Abstraction ! Flux pairs: C2H4N(21), C2H5N(20); NH(T)(59), N(53); ! Estimated using template [NH_triplet_H;Cs_rad] for rate rule [NH_triplet_H;C_pri_rad] ! Euclidian distance = 1.0 ! family: H_Abstraction NH(T)(59)+C2H4N(21)=N(53)+C2H5N(20) 8.200000e+05 1.870 44.964 ! Reaction index: Chemkin #1083; RMG #4845 ! Template reaction: H_Abstraction ! Flux pairs: C2H4N(21), C2H5N(23); NH(T)(59), N(53); ! Estimated using template [NH_triplet_H;N3s_rad] for rate rule [NH_triplet_H;N3s_rad_pri] ! Euclidian distance = 1.0 ! family: H_Abstraction NH(T)(59)+C2H4N(21)=N(53)+C2H5N(23) 9.200000e+05 1.940 24.191 ! Reaction index: Chemkin #1084; RMG #4849 ! Template reaction: H_Abstraction ! Flux pairs: CH3CHN(22), C2H5N(20); NH(T)(59), N(53); ! Estimated using average of templates [X_H_or_Xrad_H_Xbirad_H_Xtrirad_H;N3d_rad/OneDe] + [NH_triplet_H;N3_rad] for rate rule ! [NH_triplet_H;N3d_rad/OneDe] ! Euclidian distance = 2.0 ! family: H_Abstraction NH(T)(59)+CH3CHN(22)=N(53)+C2H5N(20) 2.335753e+06 1.883 15.335 ! Reaction index: Chemkin #1085; RMG #4850 ! Template reaction: Disproportionation ! Flux pairs: N(53), NH(T)(59); HCNH(69), HCN(28); ! Estimated using template [Y_rad_birad_trirad_quadrad;N3d/H_d_Crad] for rate rule [N_atom_quartet;N3d/H_d_Crad] ! Euclidian distance = 2.0 ! family: Disproportionation N(53)+HCNH(69)=NH(T)(59)+HCN(28) 1.180678e+07 1.685 -1.000 ! Reaction index: Chemkin #1086; RMG #4851 ! Template reaction: Disproportionation ! Estimated using template [Y_rad_birad_trirad_quadrad;Cds/H2_d_N3rad] for rate rule [N_atom_quartet;Cds/H2_d_N3rad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation N(53)+H2CN(68)=NH(T)(59)+HCN(28) 2.346913e+07 1.685 -1.000 ! Reaction index: Chemkin #1087; RMG #4855 ! Template reaction: Disproportionation ! Flux pairs: N(53), NH(T)(59); C2H4N(150), CH2CNH(27); ! Estimated using template [Y_rad_birad_trirad_quadrad;N3s/H2_s_Crad] for rate rule [N_atom_quartet;N3s/H2_s_Cdsrad] ! Euclidian distance = 2.23606797749979 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation N(53)+C2H4N(150)=NH(T)(59)+CH2CNH(27) 8.878721e+07 1.658 -0.851 ! Reaction index: Chemkin #1088; RMG #4857 ! Template reaction: Disproportionation ! Estimated using template [Y_rad_birad_trirad_quadrad;Cdpri_Rrad] for rate rule [N_atom_quartet;Cdpri_Nrad] ! Euclidian distance = 2.23606797749979 ! family: Disproportionation N(53)+C2H4N(21)=NH(T)(59)+CH2CNH(27) 1.279734e+11 0.000 6.517 ! Reaction index: Chemkin #1089; RMG #4863 ! Template reaction: H_Abstraction ! Flux pairs: C2H3N(165), C2H4N(21); NH(T)(59), N(53); ! Estimated using average of templates [X_H_or_Xrad_H_Xbirad_H_Xtrirad_H;N3d_rad/OneDe] + [NH_triplet_H;N3_rad] for rate rule ! [NH_triplet_H;N3d_rad/OneDe] ! Euclidian distance = 2.0 ! family: H_Abstraction NH(T)(59)+C2H3N(165)=N(53)+C2H4N(21) 2.335753e+06 1.883 15.335 ! Reaction index: Chemkin #1090; RMG #4864 ! Template reaction: H_Abstraction ! Flux pairs: C2H3N(165), CH3CHN(22); NH(T)(59), N(53); ! Estimated using template [NH_triplet_H;Cs_rad] for rate rule [NH_triplet_H;C_pri_rad] ! Euclidian distance = 1.0 ! family: H_Abstraction NH(T)(59)+C2H3N(165)=N(53)+CH3CHN(22) 8.200000e+05 1.870 44.964 ! Reaction index: Chemkin #1091; RMG #4871 ! Template reaction: H_Abstraction ! Flux pairs: HCNH(69), CH2NH(25); NH(T)(59), N(53); ! Estimated using an average for rate rule [NH_triplet_H;Y_rad] ! Euclidian distance = 0 ! family: H_Abstraction NH(T)(59)+HCNH(69)=N(53)+CH2NH(25) 7.502616e+07 1.453 24.735 ! Reaction index: Chemkin #1092; RMG #4872 ! Template reaction: Disproportionation ! Flux pairs: N(53), NH(T)(59); C2H6N(13), C2H5N(20); ! Estimated using template [Y_rad_birad_trirad_quadrad;N3s/H2_s_Cssrad] for rate rule [N_atom_quartet;N3s/H2_s_Cssrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation N(53)+C2H6N(13)=NH(T)(59)+C2H5N(20) 4.595650e+07 1.685 -0.760 ! Reaction index: Chemkin #1093; RMG #4873 ! Template reaction: Disproportionation ! Estimated using template [Y_rad_birad_trirad_quadrad;C/H2/Nd_Rrad] for rate rule [N_atom_quartet;C/H2/Nd_Nrad] ! Euclidian distance = 2.23606797749979 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation N(53)+C2H6N(14)=NH(T)(59)+C2H5N(20) 2.331674e+12 0.083 3.699 ! Reaction index: Chemkin #1094; RMG #4877 ! Template reaction: CO_Disproportionation ! Flux pairs: N(53), NH(T)(59); HCO(32), CO(30); ! Estimated using template [Y_rad_birad_trirad_quadrad;HCO] for rate rule [N_atom_quartet;HCO] ! Euclidian distance = 2.0 ! family: CO_Disproportionation N(53)+HCO(32)=NH(T)(59)+CO(30) 1.275865e+14 -0.183 0.694 ! Reaction index: Chemkin #1095; RMG #4887 ! Template reaction: H_Abstraction ! Flux pairs: HCO(32), CH2O(36); NH(T)(59), N(53); ! Estimated using average of templates [X_H_or_Xrad_H_Xbirad_H_Xtrirad_H;CO_pri_rad] + [NH_triplet_H;Y_rad] for rate rule [NH_triplet_H;CO_pri_rad] ! Euclidian distance = 2.0 ! family: H_Abstraction NH(T)(59)+HCO(32)=N(53)+CH2O(36) 1.726775e+06 1.937 26.961 ! Reaction index: Chemkin #1096; RMG #4891 ! Template reaction: H_Abstraction ! Flux pairs: H2CN(68), CH2NH(25); NH(T)(59), N(53); ! Estimated using average of templates [X_H_or_Xrad_H_Xbirad_H_Xtrirad_H;N3d_rad/OneDe] + [NH_triplet_H;N3_rad] for rate rule ! [NH_triplet_H;N3d_rad/OneDe] ! Euclidian distance = 2.0 ! family: H_Abstraction NH(T)(59)+H2CN(68)=N(53)+CH2NH(25) 2.335753e+06 1.883 15.335 ! Reaction index: Chemkin #1097; RMG #4892 ! Template reaction: Disproportionation ! Flux pairs: N(53), NH(T)(59); C2H3(46), C2H2(39); ! Estimated using template [Y_rad_birad_trirad_quadrad;Cds/H2_d_Crad] for rate rule [N_atom_quartet;Cds/H2_d_Crad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation N(53)+C2H3(46)=NH(T)(59)+C2H2(39) 5.200000e+15 -1.260 3.310 ! Reaction index: Chemkin #1098; RMG #4897 ! Template reaction: H_Abstraction ! Flux pairs: CH2(T)(35), CH3(15); NH(T)(59), N(53); ! Estimated using template [NH_triplet_H;Y_1centerbirad] for rate rule [NH_triplet_H;CH2_triplet] ! Euclidian distance = 1.0 ! family: H_Abstraction NH(T)(59)+CH2(T)(35)=N(53)+CH3(15) 1.700000e+08 1.500 52.074 ! Reaction index: Chemkin #1099; RMG #4899 ! Template reaction: H_Abstraction ! Flux pairs: CH(34), CH2(S)(41); NH(T)(59), N(53); ! Estimated using template [NH_triplet_H;Y_rad_birad_trirad_quadrad] for rate rule [NH_triplet_H;CH_doublet] ! Euclidian distance = 2.0 ! family: H_Abstraction NH(T)(59)+CH(34)=N(53)+CH2(S)(41) 1.129356e+08 1.476 38.404 ! Reaction index: Chemkin #1100; RMG #4901 ! Template reaction: Disproportionation ! Estimated using template [Y_rad_birad_trirad_quadrad;CH_d_Rrad] for rate rule [N_atom_quartet;Cds/H/NonDe_d_Rrad] ! Euclidian distance = 2.8284271247461903 ! family: Disproportionation N(53)+CH3CHN(22)=NH(T)(59)+CH3CN(29) 1.123371e+10 0.719 0.427 ! Reaction index: Chemkin #1101; RMG #4907 ! Template reaction: H_Abstraction ! Flux pairs: C2H4N(151), C2H5N(23); NH(T)(59), N(53); ! Estimated using average of templates [X_H_or_Xrad_H_Xbirad_H_Xtrirad_H;Cd_pri_rad] + [NH_triplet_H;Y_rad] for rate rule [NH_triplet_H;Cd_pri_rad] ! Euclidian distance = 2.0 ! family: H_Abstraction NH(T)(59)+C2H4N(151)=N(53)+C2H5N(23) 1.555697e+04 2.461 11.993 ! Reaction index: Chemkin #1102; RMG #4911 ! Template reaction: H_Abstraction ! Flux pairs: C2H4N(150), C2H5N(23); NH(T)(59), N(53); ! Estimated using template [X_H_or_Xrad_H_Xbirad_H_Xtrirad_H;Cd_sec_rad] for rate rule [NH_triplet_H;Cd_rad/NonDeN] ! Euclidian distance = 2.23606797749979 ! family: H_Abstraction NH(T)(59)+C2H4N(150)=N(53)+C2H5N(23) 5.827083e-02 4.049 4.397 ! Reaction index: Chemkin #1103; RMG #4914 ! Template reaction: H_Abstraction ! Flux pairs: C2H5(48), C2H6(47); NH(T)(59), N(53); ! Estimated using template [X_H_or_Xrad_H_Xbirad_H_Xtrirad_H;C_rad/H2/Cs\H3] for rate rule [NH_triplet_H;C_rad/H2/Cs\H3] ! Euclidian distance = 2.0 ! family: H_Abstraction NH(T)(59)+C2H5(48)=N(53)+C2H6(47) 1.244411e+01 3.188 13.946 ! Reaction index: Chemkin #1104; RMG #4916 ! Template reaction: Disproportionation ! Estimated using template [Y_rad_birad_trirad_quadrad;Cdpri_Csrad] for rate rule [N_atom_quartet;Cdpri_Csrad] ! Euclidian distance = 2.0 ! family: Disproportionation N(53)+C2H3N(165)=NH(T)(59)+CH2CN(124) 1.000000e+09 0.000 0.000 ! Reaction index: Chemkin #1105; RMG #4918 ! Template reaction: H_Abstraction ! Flux pairs: CH2CNH(27), CH2CN(124); N(53), NH(T)(59); ! Estimated using template [N3d/H/OneDe;Y_rad_birad_trirad_quadrad] for rate rule [N3d/H/OneDe;N_atom_quartet] ! Euclidian distance = 2.0 ! family: H_Abstraction N(53)+CH2CNH(27)=NH(T)(59)+CH2CN(124) 6.582540e+09 1.236 17.488 ! Reaction index: Chemkin #1106; RMG #4920 ! Template reaction: H_Abstraction ! Flux pairs: CH2CN(124), CH3CN(29); NH(T)(59), N(53); ! Estimated using average of templates [X_H_or_Xrad_H_Xbirad_H_Xtrirad_H;C_rad/H2/Ct] + [NH_triplet_H;Cs_rad] for rate rule [NH_triplet_H;C_rad/H2/Ct] ! Euclidian distance = 2.0 ! family: H_Abstraction NH(T)(59)+CH2CN(124)=N(53)+CH3CN(29) 2.356886e+02 2.947 31.390 ! Reaction index: Chemkin #1107; RMG #5216 ! Template reaction: Disproportionation ! Flux pairs: N(53), NH(T)(59); C2H4N(164), C2H3N(178); ! Estimated using template [Y_rad_birad_trirad_quadrad;N3H_s_Rrad] for rate rule [N_atom_quartet;N3s/H/NonDe_s_Rrad] ! Euclidian distance = 2.23606797749979 ! family: Disproportionation N(53)+C2H4N(164)=NH(T)(59)+C2H3N(178) 3.053811e+07 1.697 -0.195 ! Reaction index: Chemkin #1108; RMG #5469 ! Template reaction: H_Abstraction ! Flux pairs: C2H3(46), C2H4(24); NH(T)(59), N(53); ! Estimated using template [X_H_or_Xrad_H_Xbirad_H_Xtrirad_H;Cd_Cd\H2_pri_rad] for rate rule [NH_triplet_H;Cd_Cd\H2_pri_rad] ! Euclidian distance = 2.0 ! family: H_Abstraction NH(T)(59)+C2H3(46)=N(53)+C2H4(24) 6.681104e+00 3.434 3.367 ! Reaction index: Chemkin #1109; RMG #5902 ! Template reaction: H_Abstraction ! Flux pairs: CN(77), HCN(28); NH(T)(59), N(53); ! Estimated using average of templates [X_H_or_Xrad_H_Xbirad_H_Xtrirad_H;Ct_rad/N] + [NH_triplet_H;Y_rad] for rate rule [NH_triplet_H;Ct_rad/N] ! Euclidian distance = 2.0 ! family: H_Abstraction NH(T)(59)+CN(77)=N(53)+HCN(28) 7.482163e+08 1.250 13.609 ! Reaction index: Chemkin #1110; RMG #6252 ! Template reaction: H_Abstraction ! Flux pairs: NCO(76), HNCO(74); NH(T)(59), N(53); ! Estimated using template [X_H_or_Xrad_H_Xbirad_H_Xtrirad_H;N3d_rad/OneDeCdd_O] for rate rule [NH_triplet_H;N3d_rad/OneDeCdd_O] ! Euclidian distance = 2.0 ! family: H_Abstraction NH(T)(59)+NCO(76)=N(53)+HNCO(74) 5.930153e+06 1.827 6.480 ! Reaction index: Chemkin #1111; RMG #293 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: NO(54), O(6); NO(54), N(53); NO(54)+M=O(6)+N(53)+M 1.400e+15 0.000 148.345 ! Reaction index: Chemkin #1112; RMG #310 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: O2(2), NO(54); NH(T)(59), OH(3); O2(2)+NH(T)(59)=NO(54)+OH(3) 7.600000e+10 0.000 1.529 ! Reaction index: Chemkin #1113; RMG #330 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: CH3(15), H2CN(68); NO(54), OH(3); NO(54)+CH3(15)=OH(3)+H2CN(68) 2.200000e+09 0.750 11.717 ! Reaction index: Chemkin #1114; RMG #331 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: CH3(15), HCN(28); NO(54), H2O(8); NO(54)+CH3(15)=H2O(8)+HCN(28) 4.900000e+08 0.460 12.392 ! Reaction index: Chemkin #1115; RMG #344 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: CH2(T)(35), HCN(28); NO(54), OH(3); NO(54)+CH2(T)(35)=OH(3)+HCN(28) 2.900000e+14 -0.690 0.755 ! Reaction index: Chemkin #1116; RMG #345 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: CH2(T)(35), HNCO(74); NO(54), H(5); NO(54)+CH2(T)(35)=H(5)+HNCO(74) 3.100000e+17 -1.380 1.271 ! Reaction index: Chemkin #1117; RMG #347 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: CH2(T)(35), H2CN(68); NO(54), O(6); NO(54)+CH2(T)(35)=O(6)+H2CN(68) 8.100000e+07 1.420 4.111 ! Reaction index: Chemkin #1118; RMG #350 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: CH(34), HCN(28); NO(54), O(6); NO(54)+CH(34)=O(6)+HCN(28) 5.300000e+13 0.000 0.000 ! Reaction index: Chemkin #1119; RMG #351 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: CH(34), NCO(76); NO(54), H(5); NO(54)+CH(34)=H(5)+NCO(76) 2.000000e+13 0.000 0.000 ! Reaction index: Chemkin #1120; RMG #352 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: CH(34), HCO(32); NO(54), N(53); NO(54)+CH(34)=N(53)+HCO(32) 2.900000e+13 0.000 0.000 ! Reaction index: Chemkin #1121; RMG #353 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: CH(34), CO(30); NO(54), NH(T)(59); NO(54)+CH(34)=NH(T)(59)+CO(30) 5.500000e+12 0.000 0.000 ! Reaction index: Chemkin #1122; RMG #354 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: CH(34), CN(77); NO(54), OH(3); NO(54)+CH(34)=OH(3)+CN(77) 3.300000e+12 0.000 0.000 ! Reaction index: Chemkin #1123; RMG #355 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: O2(2), NO(54); N(53), O(6); O2(2)+N(53)=O(6)+NO(54) 9.000000e+09 1.000 6.494 ! Reaction index: Chemkin #1124; RMG #357 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: OH(3), NO(54); N(53), H(5); N(53)+OH(3)=NO(54)+H(5) 1.100000e+14 0.000 1.122 ! Reaction index: Chemkin #1125; RMG #369 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: O(6), NO(54); NH(T)(59), H(5); O(6)+NH(T)(59)=NO(54)+H(5) 6.000000e+13 0.000 0.000 ! Reaction index: Chemkin #1126; RMG #507 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: H2CN(68), CH2O(36); O2(2), NO(54); O2(2)+H2CN(68)=NO(54)+CH2O(36) 3.000000e+12 0.000 5.958 ! Reaction index: Chemkin #1127; RMG #567 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: NCO(76), CO(30); O(6), NO(54); O(6)+NCO(76)=NO(54)+CO(30) 4.200000e+13 0.000 0.000 ! Reaction index: Chemkin #1128; RMG #573 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: NCO(76), CO(30); OH(3), H(5); OH(3), NO(54); OH(3)+NCO(76)=NO(54)+H(5)+CO(30) 8.300000e+12 -0.050 18.032 ! Reaction index: Chemkin #1129; RMG #891 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: CN(77), CO(30); O2(2), NO(54); O2(2)+CN(77)=NO(54)+CO(30) 2.800000e+17 -2.000 0.000 ! Reaction index: Chemkin #1130; RMG #911 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: NCO(76), CO2(31); O2(2), NO(54); O2(2)+NCO(76)=NO(54)+CO2(31) 2.000000e+12 0.000 20.000 ! Reaction index: Chemkin #1131; RMG #917 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: CO2(31), CO(30); N(53), NO(54); N(53)+CO2(31)=NO(54)+CO(30) 2.000000e+12 0.000 20.000 ! Reaction index: Chemkin #1132; RMG #940 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: CH2(S)(41), HCN(28); NO(54), OH(3); NO(54)+CH2(S)(41)=OH(3)+HCN(28) 2.000000e+13 0.000 0.000 ! Reaction index: Chemkin #1133; RMG #941 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: CH2(S)(41), CH2(T)(35); NO(54), NO(54); NO(54)+CH2(S)(41)=NO(54)+CH2(T)(35) 1.000000e+14 0.000 0.000 ! Reaction index: Chemkin #1134; RMG #966 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: C2H3(46), CH2O(36); NO(54), HCN(28); NO(54)+C2H3(46)=HCN(28)+CH2O(36) 7.000000e+21 -3.400 1.025 ! Reaction index: Chemkin #1135; RMG #296 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: N2O(55), NO(54); O(6), NO(54); O(6)+N2O(55)=NO(54)+NO(54) 2.900000e+13 0.000 23.135 ! Reaction index: Chemkin #1136; RMG #305 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: N2O(55), NO(54); H(5), NH(T)(59); N2O(55)+H(5)=NO(54)+NH(T)(59) 8.500000e+20 -1.260 35.349 ! Reaction index: Chemkin #1137; RMG #564 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: NCO(76), CO(30); NO(54), N2O(55); NO(54)+NCO(76)=N2O(55)+CO(30) 6.200000e+17 -1.730 0.765 ! Reaction index: Chemkin #1138; RMG #946 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: CH(34), HCN(28); N2O(55), NO(54); N2O(55)+CH(34)=NO(54)+HCN(28) 1.900000e+13 0.000 -0.511 ! Reaction index: Chemkin #1139; RMG #2838 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(196), C2H4N(164); H(5), H2(7); ! From training reaction 112 used for C/H2/NonDeN;H_rad ! Exact match found for rate rule [C/H2/NonDeN;H_rad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: H_Abstraction H(5)+C2H5N(196)=H2(7)+C2H4N(164) 2.320000e+13 0.000 3.585 ! Reaction index: Chemkin #1140; RMG #2839 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(196), C2H4N(164); OH(3), H2O(8); ! From training reaction 121 used for C/H2/NonDeN;O_pri_rad ! Exact match found for rate rule [C/H2/NonDeN;O_pri_rad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: H_Abstraction OH(3)+C2H5N(196)=H2O(8)+C2H4N(164) 6.560000e+05 2.240 -3.040 ! Reaction index: Chemkin #1141; RMG #2842 ! Template reaction: H_Abstraction ! Flux pairs: C2H4N(164), C2H5N(196); HO2(10), O2(2); ! Estimated using template [X_H;C_sec_rad] for rate rule [Orad_O_H;C_rad/H/NonDeCN] ! Euclidian distance = 2.23606797749979 ! family: H_Abstraction HO2(10)+C2H4N(164)=O2(2)+C2H5N(196) 3.641605e-02 4.032 13.710 ! Reaction index: Chemkin #1142; RMG #2844 ! Template reaction: H_Abstraction ! Flux pairs: C2H4N(164), C2H5N(196); H2O2(11), HO2(10); ! Estimated using template [H2O2;C_sec_rad] for rate rule [H2O2;C_rad/H/NonDeCN] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction H2O2(11)+C2H4N(164)=HO2(10)+C2H5N(196) 1.571409e-04 4.566 1.730 ! Reaction index: Chemkin #1143; RMG #2845 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(196), C2H4N(164); C2H6N(14), NCC(1); ! Estimated using template [C/H2/NonDeN;N3s_rad] for rate rule [C/H2/NonDeN;N3s_rad_pri] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 4.0 ! family: H_Abstraction C2H5N(196)+C2H6N(14)=C2H4N(164)+NCC(1) 1.602000e+13 0.000 4.493 ! Reaction index: Chemkin #1144; RMG #2846 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(196), C2H4N(164); C2H6N(13), NCC(1); ! Estimated using template [C_sec;C_sec_rad] for rate rule [C/H2/NonDeN;C_rad/H/NonDeCN] ! Euclidian distance = 1.4142135623730951 ! Multiplied by reaction path degeneracy 4.0 ! family: H_Abstraction C2H5N(196)+C2H6N(13)=C2H4N(164)+NCC(1) 4.147768e-03 4.352 9.178 ! Reaction index: Chemkin #1145; RMG #2847 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(196), C2H4N(164); C2H6N(12), NCC(1); ! Estimated using template [C_sec;C_rad/H2/Cs] for rate rule [C/H2/NonDeN;C_rad/H2/Cs] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 4.0 ! family: H_Abstraction C2H5N(196)+C2H6N(12)=C2H4N(164)+NCC(1) 9.226604e-04 4.441 4.631 ! Reaction index: Chemkin #1146; RMG #2853 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(196), C2H4N(164); O(6), OH(3); ! Estimated using template [C_sec;O_atom_triplet] for rate rule [C/H2/NonDeN;O_atom_triplet] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 4.0 ! family: H_Abstraction O(6)+C2H5N(196)=OH(3)+C2H4N(164) 2.579937e+04 2.830 7.497 ! Reaction index: Chemkin #1147; RMG #2857 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(196), C2H4N(164); CH2(T)(35), CH3(15); ! Estimated using template [C_sec;CH2_triplet] for rate rule [C/H2/NonDeN;CH2_triplet] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 4.0 ! family: H_Abstraction CH2(T)(35)+C2H5N(196)=CH3(15)+C2H4N(164) 3.020000e+00 3.460 7.470 ! Reaction index: Chemkin #1148; RMG #2861 ! Template reaction: Disproportionation ! Flux pairs: CH2NH2(26), CH2NH(25); C2H4N(164), C2H5N(196); ! Estimated using template [Y_rad;N3s/H2_s_Cssrad] for rate rule [C_rad/H/NonDeN;N3s/H2_s_Cssrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation CH2NH2(26)+C2H4N(164)=CH2NH(25)+C2H5N(196) 3.200000e+06 1.870 -0.630 ! Reaction index: Chemkin #1149; RMG #2867 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(196), C2H4N(164); C2H3(46), C2H4(24); ! Estimated using template [C_sec;Cd_Cd\H2_pri_rad] for rate rule [C/H2/NonDeN;Cd_Cd\H2_pri_rad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 4.0 ! family: H_Abstraction C2H3(46)+C2H5N(196)=C2H4(24)+C2H4N(164) 1.028241e-01 4.118 0.322 ! Reaction index: Chemkin #1150; RMG #2875 ! Template reaction: H_Abstraction ! Flux pairs: C2H4N(164), C2H5N(196); CH2NH(25), H2CN(68); ! Estimated using template [N3d/H/NonDeC;Cs_rad] for rate rule [N3d/H/NonDeC;C_rad/H/NonDeCN] ! Euclidian distance = 2.0 ! family: H_Abstraction CH2NH(25)+C2H4N(164)=H2CN(68)+C2H5N(196) 8.200000e+05 1.870 13.433 ! Reaction index: Chemkin #1151; RMG #2876 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(196), C2H4N(164); HCNH(69), CH2NH(25); ! Estimated using an average for rate rule [C/H2/NonDeN;Y_rad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: H_Abstraction HCNH(69)+C2H5N(196)=CH2NH(25)+C2H4N(164) 2.782898e+11 0.560 3.237 ! Reaction index: Chemkin #1152; RMG #2879 ! Template reaction: Disproportionation ! Flux pairs: C2H6N(13), C2H5N(20); C2H4N(164), C2H5N(196); ! Estimated using template [Y_rad;N3s/H2_s_Cssrad] for rate rule [C_rad/H/NonDeN;N3s/H2_s_Cssrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H4N(164)+C2H6N(13)=C2H5N(20)+C2H5N(196) 3.200000e+06 1.870 -0.630 ! Reaction index: Chemkin #1153; RMG #2880 ! Template reaction: Disproportionation ! Flux pairs: C2H6N(13), C2H5N(23); C2H4N(164), C2H5N(196); ! Estimated using template [C_sec_rad;Cmethyl_Csrad] for rate rule [C_rad/H/NonDeN;Cmethyl_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C2H4N(164)+C2H6N(13)=C2H5N(23)+C2H5N(196) 2.423978e+12 -0.233 0.000 ! Reaction index: Chemkin #1154; RMG #2889 ! Template reaction: H_Abstraction ! Flux pairs: C2H4N(164), C2H5N(196); C2H5N(23), C2H4N(21); ! Estimated using template [N3s/H2/OneDe;Cs_rad] for rate rule [N3s/H2/OneDe;C_rad/H/NonDeCN] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction C2H4N(164)+C2H5N(23)=C2H4N(21)+C2H5N(196) 3.200000e+06 1.870 7.180 ! Reaction index: Chemkin #1155; RMG #2890 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(196), C2H4N(164); C2H4N(150), C2H5N(23); ! Estimated using template [C_sec;Cd_sec_rad] for rate rule [C/H2/NonDeN;Cd_rad/NonDeN] ! Euclidian distance = 1.4142135623730951 ! Multiplied by reaction path degeneracy 4.0 ! family: H_Abstraction C2H4N(150)+C2H5N(196)=C2H4N(164)+C2H5N(23) 1.365281e-02 4.295 0.649 ! Reaction index: Chemkin #1156; RMG #2891 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(196), C2H4N(164); C2H4N(151), C2H5N(23); ! Estimated using template [C_sec;Cd_pri_rad] for rate rule [C/H2/NonDeN;Cd_pri_rad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 4.0 ! family: H_Abstraction C2H4N(151)+C2H5N(196)=C2H4N(164)+C2H5N(23) 1.028241e-01 4.118 0.322 ! Reaction index: Chemkin #1158; RMG #2900 ! Template reaction: Disproportionation ! Flux pairs: C2H6N(14), C2H5N(20); C2H4N(164), C2H5N(196); ! Estimated using template [C_sec_rad;C/H2/Nd_Rrad] for rate rule [C_rad/H/NonDeN;C/H2/Nd_Nrad] ! Euclidian distance = 1.4142135623730951 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H4N(164)+C2H6N(14)=C2H5N(20)+C2H5N(196) 2.529580e+08 1.000 0.237 ! Reaction index: Chemkin #1159; RMG #2904 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(196), C2H4N(164); CH3(15), CH4(16); ! From training reaction 115 used for C/H2/NonDeN;C_methyl ! Exact match found for rate rule [C/H2/NonDeN;C_methyl] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: H_Abstraction CH3(15)+C2H5N(196)=CH4(16)+C2H4N(164) 2.460000e+13 0.000 7.911 ! Reaction index: Chemkin #1160; RMG #2911 ! Template reaction: H_Abstraction ! Flux pairs: C2H4N(164), C2H5N(196); CH2O(36), HCO(32); ! Estimated using template [CO_pri;C_sec_rad] for rate rule [CO_pri;C_rad/H/NonDeCN] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction CH2O(36)+C2H4N(164)=HCO(32)+C2H5N(196) 1.080000e+11 0.000 6.960 ! Reaction index: Chemkin #1161; RMG #2914 ! Template reaction: Disproportionation ! Flux pairs: C2H4N(21), CH2CNH(27); C2H4N(164), C2H5N(196); ! Estimated using template [C_sec_rad;Cdpri_Csrad] for rate rule [C_rad/H/NonDeN;Cdpri_Csrad] ! Euclidian distance = 1.0 ! family: Disproportionation C2H4N(21)+C2H4N(164)=CH2CNH(27)+C2H5N(196) 4.580000e+12 0.000 6.000 ! Reaction index: Chemkin #1162; RMG #2922 ! Template reaction: H_Abstraction ! Flux pairs: C2H4N(164), C2H5N(196); C2H4N(21), C2H3N(165); ! Estimated using template [N3d/H/NonDe;Cs_rad] for rate rule [N3d/H/NonDe;C_rad/H/NonDeCN] ! Euclidian distance = 2.0 ! family: H_Abstraction C2H4N(21)+C2H4N(164)=C2H3N(165)+C2H5N(196) 1.024667e+06 1.870 5.784 ! Reaction index: Chemkin #1163; RMG #2932 ! Template reaction: Disproportionation ! Flux pairs: CH3CHN(22), CH3CN(29); C2H4N(164), C2H5N(196); ! Estimated using template [Y_rad;CH_d_Rrad] for rate rule [C_rad/H/NonDeN;Cds/H/NonDe_d_Rrad] ! Euclidian distance = 3.605551275463989 ! family: Disproportionation CH3CHN(22)+C2H4N(164)=CH3CN(29)+C2H5N(196) 4.301018e+06 1.908 -1.134 ! Reaction index: Chemkin #1164; RMG #2936 ! Template reaction: H_Abstraction ! Flux pairs: C2H4N(164), C2H5N(196); CH3CHN(22), C2H3N(165); ! Estimated using template [C/H3/OneDe;C_sec_rad] for rate rule [C/H3/OneDe;C_rad/H/NonDeCN] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction CH3CHN(22)+C2H4N(164)=C2H3N(165)+C2H5N(196) 1.381494e-03 4.432 10.997 ! Reaction index: Chemkin #1165; RMG #2944 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(196), C2H4N(164); CN(77), HCN(28); ! Estimated using template [C_sec;Ct_rad] for rate rule [C/H2/NonDeN;Ct_rad/N] ! Euclidian distance = 1.4142135623730951 ! Multiplied by reaction path degeneracy 4.0 ! family: H_Abstraction CN(77)+C2H5N(196)=HCN(28)+C2H4N(164) 2.420000e+12 0.000 0.000 ! Reaction index: Chemkin #1166; RMG #2954 ! Template reaction: H_Abstraction ! Flux pairs: C2H4N(164), C2H5N(196); CH2CNH(27), CH2CN(124); ! Estimated using template [N3d/H/OneDe;Cs_rad] for rate rule [N3d/H/OneDe;C_rad/H/NonDeCN] ! Euclidian distance = 2.0 ! family: H_Abstraction CH2CNH(27)+C2H4N(164)=CH2CN(124)+C2H5N(196) 1.000000e+12 0.000 13.433 ! Reaction index: Chemkin #1167; RMG #2960 ! Template reaction: Disproportionation ! Flux pairs: C2H3N(165), CH2CN(124); C2H4N(164), C2H5N(196); ! Estimated using template [C_sec_rad;XH_Rrad] for rate rule [C_rad/H/NonDeN;CH_d_Rrad] ! Euclidian distance = 2.23606797749979 ! family: Disproportionation C2H3N(165)+C2H4N(164)=CH2CN(124)+C2H5N(196) 1.741091e+08 0.912 0.576 ! Reaction index: Chemkin #1168; RMG #2973 ! Template reaction: Disproportionation ! Flux pairs: HCNH(69), HCN(28); C2H4N(164), C2H5N(196); ! Estimated using template [Y_rad;N3d/H_d_Crad] for rate rule [C_rad/H/NonDeN;N3d/H_d_Crad] ! Euclidian distance = 3.0 ! family: Disproportionation HCNH(69)+C2H4N(164)=HCN(28)+C2H5N(196) 8.200000e+05 1.870 -1.110 ! Reaction index: Chemkin #1169; RMG #2985 ! Template reaction: H_Abstraction ! Flux pairs: C2H4N(164), C2H5N(196); C2H5N(20), CH3CHN(22); ! Estimated using template [N3d/H/NonDeC;Cs_rad] for rate rule [N3d/H/NonDeC;C_rad/H/NonDeCN] ! Euclidian distance = 2.0 ! family: H_Abstraction C2H4N(164)+C2H5N(20)=CH3CHN(22)+C2H5N(196) 8.200000e+05 1.870 13.433 ! Reaction index: Chemkin #1170; RMG #2986 ! Template reaction: H_Abstraction ! Flux pairs: C2H4N(164), C2H5N(196); C2H5N(20), C2H4N(21); ! Estimated using template [C/H3/OneDe;C_sec_rad] for rate rule [C/H3/OneDe;C_rad/H/NonDeCN] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction C2H4N(164)+C2H5N(20)=C2H4N(21)+C2H5N(196) 1.381494e-03 4.432 10.997 ! Reaction index: Chemkin #1171; RMG #2991 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(196), C2H4N(164); C2H5(48), C2H6(47); ! Estimated using template [C_sec;C_rad/H2/Cs\H3] for rate rule [C/H2/NonDeN;C_rad/H2/Cs\H3] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 4.0 ! family: H_Abstraction C2H5(48)+C2H5N(196)=C2H4N(164)+C2H6(47) 1.056754e-03 4.464 4.826 ! Reaction index: Chemkin #1172; RMG #2992 ! Template reaction: Disproportionation ! Flux pairs: C2H4N(164), C2H3N(178); C2H4N(164), C2H5N(196); ! Estimated using average of templates [Y_rad;N3H_s_Rrad] + [C_sec_rad;XH_s_Rrad] for rate rule [C_rad/H/NonDeN;N3s/H/NonDe_s_Rrad] ! Euclidian distance = 3.1622776601683795 ! family: Disproportionation C2H4N(164)+C2H4N(164)=C2H3N(178)+C2H5N(196) 2.061779e+08 1.199 0.201 ! Reaction index: Chemkin #1173; RMG #3116 ! Template reaction: CO_Disproportionation ! Flux pairs: HCO(32), CO(30); C2H4N(164), C2H5N(196); ! Estimated using template [C_sec_rad;HCO] for rate rule [C_rad/H/NonDeN;HCO] ! Euclidian distance = 1.0 ! family: CO_Disproportionation HCO(32)+C2H4N(164)=CO(30)+C2H5N(196) 1.200000e+14 0.000 0.000 ! Reaction index: Chemkin #1174; RMG #3226 ! Template reaction: Disproportionation ! Flux pairs: H2CN(68), HCN(28); C2H4N(164), C2H5N(196); ! Estimated using template [Y_rad;Cds/H2_d_N3rad] for rate rule [C_rad/H/NonDeN;Cds/H2_d_N3rad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation H2CN(68)+C2H4N(164)=HCN(28)+C2H5N(196) 1.620000e+06 1.870 -1.110 ! Reaction index: Chemkin #1175; RMG #7101 ! PDep reaction: PDepNetwork #234 ! Flux pairs: C2H5N(196), C2H5N(23); C2H5N(196)(+M)=C2H5N(23)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ -1.020e+01 4.327e-01 -6.287e-02 6.703e-03 / CHEB/ 1.888e+01 4.505e-01 -5.741e-03 -6.942e-03 / CHEB/ -6.849e-01 1.798e-01 1.415e-02 -8.645e-04 / CHEB/ -3.869e-01 4.524e-02 7.008e-03 2.057e-03 / CHEB/ -1.661e-01 1.171e-03 -3.231e-05 1.216e-03 / CHEB/ -5.362e-02 -6.318e-03 -1.486e-03 4.479e-05 / ! Reaction index: Chemkin #1176; RMG #3425 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(196), C2H4N(164); CH(34), CH2(S)(41); ! Estimated using template [C/H2/NonDeN;Y_rad_birad_trirad_quadrad] for rate rule [C/H2/NonDeN;CH_doublet] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 4.0 ! family: H_Abstraction CH(34)+C2H5N(196)=CH2(S)(41)+C2H4N(164) 2.782898e+11 0.560 3.237 ! Reaction index: Chemkin #1177; RMG #3789 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(196), C2H4N(164); CH2CN(124), CH3CN(29); ! Estimated using template [C_sec;C_rad/H2/Ct] for rate rule [C/H2/NonDeN;C_rad/H2/Ct] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 4.0 ! family: H_Abstraction CH2CN(124)+C2H5N(196)=CH3CN(29)+C2H4N(164) 1.137456e-02 4.327 10.662 ! Reaction index: Chemkin #1178; RMG #4272 ! Template reaction: Disproportionation ! Flux pairs: C2H4N(150), CH2CNH(27); C2H4N(164), C2H5N(196); ! Estimated using template [Y_rad;N3s/H2_s_Crad] for rate rule [C_rad/H/NonDeN;N3s/H2_s_Cdsrad] ! Euclidian distance = 3.1622776601683795 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H4N(164)+C2H4N(150)=CH2CNH(27)+C2H5N(196) 2.307599e+07 1.790 -0.903 ! Reaction index: Chemkin #1179; RMG #4438 ! Template reaction: Disproportionation ! Flux pairs: C2H5(48), C2H4(24); C2H4N(164), C2H5N(196); ! Estimated using template [C_sec_rad;Cmethyl_Csrad] for rate rule [C_rad/H/NonDeN;Cmethyl_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C2H4N(164)+C2H5(48)=C2H4(24)+C2H5N(196) 2.423978e+12 -0.233 0.000 ! Reaction index: Chemkin #1180; RMG #4882 ! Template reaction: H_Abstraction ! Flux pairs: C2H4N(164), C2H5N(196); NH(T)(59), N(53); ! Estimated using template [NH_triplet_H;Cs_rad] for rate rule [NH_triplet_H;C_rad/H/NonDeCN] ! Euclidian distance = 2.0 ! family: H_Abstraction NH(T)(59)+C2H4N(164)=N(53)+C2H5N(196) 8.200000e+05 1.870 44.964 ! Reaction index: Chemkin #1181; RMG #5403 ! Template reaction: Disproportionation ! Flux pairs: C2H3(46), C2H2(39); C2H4N(164), C2H5N(196); ! Estimated using template [Y_rad;Cds/H2_d_Rrad] for rate rule [C_rad/H/NonDeN;Cds/H2_d_Crad] ! Euclidian distance = 3.1622776601683795 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H3(46)+C2H4N(164)=C2H2(39)+C2H5N(196) 8.204641e+06 1.877 -1.115 ! Reaction index: Chemkin #1182; RMG #6458 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(196), C2H4N(164); NCO(76), HNCO(74); ! Estimated using template [Cs_H;N3d_rad/OneDeCdd_O] for rate rule [C/H2/NonDeN;N3d_rad/OneDeCdd_O] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 4.0 ! family: H_Abstraction NCO(76)+C2H5N(196)=HNCO(74)+C2H4N(164) 3.920000e+13 0.000 8.130 ! Reaction index: Chemkin #1183; RMG #6562 ! PDep reaction: PDepNetwork #175 ! Flux pairs: NH(T)(59), C2H5N(196); C2H4(24), C2H5N(196); NH(T)(59)+C2H4(24)(+M)=C2H5N(196)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.121e+01 6.007e-01 -7.010e-02 -1.533e-03 / CHEB/ -5.547e-01 2.723e-01 4.963e-02 -3.264e-03 / CHEB/ -4.712e-01 3.428e-02 2.183e-02 5.436e-03 / CHEB/ -2.191e-01 -2.143e-02 -2.877e-04 3.380e-03 / CHEB/ -7.206e-02 -1.381e-02 -6.813e-03 7.481e-04 / CHEB/ -9.281e-03 -1.388e-03 -5.210e-03 -4.112e-04 / ! Reaction index: Chemkin #1184; RMG #6954 ! PDep reaction: PDepNetwork #85 ! Flux pairs: H(5), C2H5N(196); C2H4N(164), C2H5N(196); H(5)+C2H4N(164)(+M)=C2H5N(196)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.056e+01 9.974e-01 -1.188e-03 -3.735e-04 / CHEB/ -1.289e+00 3.253e-03 1.433e-03 4.387e-04 / CHEB/ -4.614e-01 -5.141e-04 -1.905e-04 -4.273e-05 / CHEB/ -1.600e-01 -9.577e-05 -5.669e-05 -2.218e-05 / CHEB/ -3.396e-02 -2.448e-05 -1.221e-05 -5.219e-06 / CHEB/ 1.217e-02 -3.328e-05 -1.577e-05 -5.474e-06 / ! Reaction index: Chemkin #1185; RMG #6955 ! PDep reaction: PDepNetwork #85 ! Flux pairs: C2H4N(164), CH2NH(25); H(5), CH2(S)(41); H(5)+C2H4N(164)(+M)=CH2(S)(41)+CH2NH(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 8.037e+00 -5.516e-03 -2.037e-03 -3.881e-04 / CHEB/ 1.990e+00 7.744e-03 2.737e-03 4.452e-04 / CHEB/ 2.925e-01 -2.455e-03 -6.825e-04 2.989e-06 / CHEB/ 5.970e-02 1.965e-04 -4.976e-05 -7.527e-05 / CHEB/ 2.603e-03 -3.715e-05 2.802e-06 4.832e-06 / CHEB/ -6.357e-03 4.952e-05 2.076e-05 6.120e-06 / ! Reaction index: Chemkin #1186; RMG #6960 ! PDep reaction: PDepNetwork #111 ! Flux pairs: CH2(S)(41), C2H5N(196); CH2NH(25), C2H5N(196); CH2(S)(41)+CH2NH(25)(+M)=C2H5N(196)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 8.828e+00 9.887e-01 -3.833e-03 -5.327e-04 / CHEB/ -6.904e-01 1.600e-02 5.151e-03 5.328e-04 / CHEB/ -4.086e-01 -5.596e-03 -1.416e-03 1.014e-04 / CHEB/ -1.510e-01 9.516e-04 8.071e-05 -1.218e-04 / CHEB/ -3.343e-02 -1.536e-04 -2.025e-05 5.685e-06 / CHEB/ 1.139e-02 -6.209e-05 -1.858e-05 1.424e-07 / ! Reaction index: Chemkin #1187; RMG #6966 ! PDep reaction: PDepNetwork #175 ! Flux pairs: C2H4(24), C2H4N(164); NH(T)(59), H(5); NH(T)(59)+C2H4(24)(+M)=H(5)+C2H4N(164)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.852e+00 -4.193e-02 -1.157e-02 -1.555e-03 / CHEB/ 8.278e+00 1.851e-02 7.677e-03 2.972e-03 / CHEB/ 2.065e-01 -1.047e-02 -1.242e-03 5.637e-04 / CHEB/ 5.954e-02 -1.016e-02 -1.172e-03 6.223e-04 / CHEB/ 7.228e-03 -4.945e-03 -6.955e-04 3.586e-04 / CHEB/ -1.484e-02 -1.686e-04 -5.382e-05 5.577e-06 / ! Reaction index: Chemkin #1189; RMG #6985 ! Template reaction: Disproportionation ! Estimated using template [C_sec_rad;Cmethyl_Csrad] for rate rule [C_rad/H/NonDeN;Cmethyl_Csrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C2H4N(164)+C2H6N(13)=C2H5N(196)+C2H5N(23) 2.423978e+12 -0.233 0.000 ! Reaction index: Chemkin #1190; RMG #7019 ! Template reaction: Disproportionation ! Flux pairs: C2H4N(164), C2H5N(196); C2H6N(13), C2H5N(20); ! Estimated using template [Y_rad;N3s/H2_s_Cssrad] for rate rule [C_rad/H/NonDeN;N3s/H2_s_Cssrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H4N(164)+C2H6N(13)=C2H5N(196)+C2H5N(20) 3.200000e+06 1.870 -0.630 ! Reaction index: Chemkin #1191; RMG #7021 ! Template reaction: Disproportionation ! Estimated using template [C_sec_rad;C/H2/Nd_Rrad] for rate rule [C_rad/H/NonDeN;C/H2/Nd_Nrad] ! Euclidian distance = 1.4142135623730951 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H4N(164)+C2H6N(14)=C2H5N(196)+C2H5N(20) 2.529580e+08 1.000 0.237 ! Reaction index: Chemkin #1192; RMG #7102 ! PDep reaction: PDepNetwork #234 ! Flux pairs: C2H5N(196), C2H5N(20); C2H5N(196)(+M)=C2H5N(20)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ -1.019e+01 4.199e-01 -5.897e-02 6.128e-03 / CHEB/ 1.889e+01 4.299e-01 1.760e-04 -7.609e-03 / CHEB/ -6.789e-01 1.673e-01 1.733e-02 -9.679e-04 / CHEB/ -3.869e-01 4.000e-02 7.989e-03 2.279e-03 / CHEB/ -1.700e-01 7.405e-04 -2.474e-04 1.502e-03 / CHEB/ -5.921e-02 -4.410e-03 -2.090e-03 2.504e-04 / ! Reaction index: Chemkin #1193; RMG #7103 ! PDep reaction: PDepNetwork #234 ! Flux pairs: C2H5N(196), C2H5N(152); C2H5N(196)(+M)=C2H5N(152)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ -1.647e+01 4.401e-01 -1.371e-01 -2.987e-03 / CHEB/ 2.385e+01 7.307e-01 5.814e-03 7.722e-04 / CHEB/ -4.685e-01 1.805e-01 7.797e-03 -2.725e-04 / CHEB/ -2.205e-01 3.540e-02 6.890e-04 -1.160e-03 / CHEB/ -1.111e-01 -9.135e-04 -1.593e-03 -1.091e-03 / CHEB/ -7.073e-02 -1.469e-02 -9.943e-04 8.236e-05 / ! Reaction index: Chemkin #1194; RMG #7104 ! PDep reaction: PDepNetwork #234 ! Flux pairs: C2H5N(196), H(5); C2H5N(196), C2H4N(21); C2H5N(196)(+M)=H(5)+C2H4N(21)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ -1.524e+01 -4.557e-02 -8.016e-02 -2.297e-03 / CHEB/ 2.254e+01 6.180e-01 2.885e-02 3.739e-03 / CHEB/ -3.744e-01 1.899e-01 4.474e-03 3.118e-03 / CHEB/ -2.925e-01 4.529e-02 -1.820e-06 -1.270e-03 / CHEB/ -1.337e-01 8.206e-04 2.836e-03 -9.248e-04 / CHEB/ -4.538e-02 -1.425e-02 3.183e-03 3.664e-04 / ! Reaction index: Chemkin #1195; RMG #7137 ! PDep reaction: PDepNetwork #131 ! Flux pairs: CH2(T)(35), C2H5N(196); CH2NH(25), C2H5N(196); CH2(T)(35)+CH2NH(25)(+M)=C2H5N(196)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 3.508e+00 9.322e-01 -2.818e-02 -7.219e-03 / CHEB/ -8.518e-01 7.771e-02 3.103e-02 7.129e-03 / CHEB/ -1.317e+00 -7.829e-03 -1.651e-03 5.678e-04 / CHEB/ -4.385e-01 -3.021e-03 -1.592e-03 -5.740e-04 / CHEB/ -1.386e-01 -1.374e-03 -6.781e-04 -2.538e-04 / CHEB/ -3.040e-02 -1.498e-04 -6.699e-05 -2.408e-05 / ! Reaction index: Chemkin #1196; RMG #7107 ! PDep reaction: PDepNetwork #234 ! Flux pairs: C2H5N(196), NH3(17); C2H5N(196), C2H2(39); C2H5N(196)(+M)=NH3(17)+C2H2(39)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ -1.271e+01 -4.197e-01 -6.444e-02 5.672e-03 / CHEB/ 2.021e+01 6.245e-01 9.634e-04 -6.729e-03 / CHEB/ -2.975e-01 2.300e-01 1.538e-02 1.375e-03 / CHEB/ -2.898e-01 5.091e-02 2.534e-03 2.441e-03 / CHEB/ -1.475e-01 3.245e-03 -2.977e-03 4.416e-06 / CHEB/ -5.699e-02 -3.052e-03 -1.266e-03 -8.587e-04 / ! Reaction index: Chemkin #1197; RMG #7108 ! PDep reaction: PDepNetwork #234 ! Flux pairs: C2H5N(196), H(5); C2H5N(196), C2H4N(150); C2H5N(196)(+M)=H(5)+C2H4N(150)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ -3.294e+01 9.155e-01 -2.428e-02 -1.765e-03 / CHEB/ 3.702e+01 -8.395e-02 -1.970e-02 1.963e-03 / CHEB/ 2.165e-01 -7.740e-02 -1.881e-02 8.973e-04 / CHEB/ -5.838e-01 -4.790e-02 -1.023e-02 1.435e-03 / CHEB/ -4.885e-01 -1.757e-02 -2.434e-03 1.401e-03 / CHEB/ -2.412e-01 4.378e-03 2.522e-03 8.564e-04 / ! Reaction index: Chemkin #1198; RMG #7109 ! PDep reaction: PDepNetwork #234 ! Flux pairs: C2H5N(196), H(5); C2H5N(196), C2H4N(151); C2H5N(196)(+M)=H(5)+C2H4N(151)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ -3.289e+01 9.143e-01 -2.449e-02 -1.734e-03 / CHEB/ 3.703e+01 -8.422e-02 -1.962e-02 2.051e-03 / CHEB/ 1.987e-01 -7.651e-02 -1.840e-02 9.888e-04 / CHEB/ -5.984e-01 -4.637e-02 -9.607e-03 1.546e-03 / CHEB/ -4.931e-01 -1.597e-02 -1.839e-03 1.501e-03 / CHEB/ -2.393e-01 5.363e-03 2.846e-03 9.025e-04 / ! Reaction index: Chemkin #1199; RMG #7110 ! PDep reaction: PDepNetwork #234 ! Flux pairs: C2H5N(196), H(5); C2H5N(196), CH3CHN(22); C2H5N(196)(+M)=H(5)+CH3CHN(22)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ -1.580e+01 -4.189e-02 -7.482e-02 -3.213e-03 / CHEB/ 2.259e+01 6.337e-01 3.502e-02 3.366e-03 / CHEB/ -4.133e-01 2.043e-01 6.429e-03 3.336e-03 / CHEB/ -3.266e-01 5.406e-02 7.878e-04 -1.157e-03 / CHEB/ -1.485e-01 8.908e-03 3.673e-03 -1.083e-03 / CHEB/ -4.494e-02 -5.839e-03 3.566e-03 -1.006e-06 / ! Reaction index: Chemkin #1200; RMG #7111 ! PDep reaction: PDepNetwork #234 ! Flux pairs: C2H5N(196), HCNH(69); C2H5N(196), CH3(15); C2H5N(196)(+M)=HCNH(69)+CH3(15)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ -1.583e+01 3.635e-02 -7.406e-02 -5.296e-03 / CHEB/ 2.403e+01 5.202e-01 2.440e-02 7.610e-03 / CHEB/ -4.739e-01 1.851e-01 4.145e-03 9.174e-04 / CHEB/ -3.077e-01 5.635e-02 3.099e-03 -1.630e-03 / CHEB/ -1.369e-01 1.019e-02 4.472e-03 -8.236e-04 / CHEB/ -4.402e-02 -3.484e-03 3.244e-03 2.244e-05 / ! Reaction index: Chemkin #1201; RMG #3280 ! PDep reaction: PDepNetwork #30 ! Flux pairs: C2H5N(23), C2H5N(205); C2H5N(23)(+M)=C2H5N(205)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ -1.951e+01 3.486e-01 -3.510e-02 9.134e-04 / CHEB/ 2.451e+01 5.448e-01 -2.091e-02 -9.898e-05 / CHEB/ -6.571e-01 2.960e-01 4.780e-03 -1.176e-03 / CHEB/ -4.322e-01 8.848e-02 1.265e-02 -1.705e-04 / CHEB/ -2.073e-01 -1.135e-04 4.913e-03 1.077e-03 / CHEB/ -1.129e-01 -1.387e-02 -1.019e-03 6.687e-04 / ! Reaction index: Chemkin #1202; RMG #6957 ! PDep reaction: PDepNetwork #85 ! Flux pairs: H(5), C2H5N(205); C2H4N(164), C2H5N(205); H(5)+C2H4N(164)(+M)=C2H5N(205)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.003e+01 9.052e-01 -3.622e-02 -7.552e-03 / CHEB/ -9.688e-01 1.133e-01 4.087e-02 7.015e-03 / CHEB/ -4.190e-01 -1.332e-02 -1.753e-03 1.593e-03 / CHEB/ -9.944e-02 -6.158e-03 -3.140e-03 -9.952e-04 / CHEB/ -1.295e-02 -1.489e-03 -8.973e-04 -4.288e-04 / CHEB/ -3.238e-02 -6.953e-05 -6.858e-06 -6.149e-06 / ! Reaction index: Chemkin #1203; RMG #6963 ! PDep reaction: PDepNetwork #111 ! Flux pairs: CH2(S)(41), C2H5N(205); CH2NH(25), C2H5N(205); CH2(S)(41)+CH2NH(25)(+M)=C2H5N(205)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 9.741e+00 9.068e-01 -3.751e-02 -8.978e-03 / CHEB/ -3.791e-01 1.091e-01 4.191e-02 8.773e-03 / CHEB/ -2.589e-01 -1.130e-02 -1.810e-03 1.185e-03 / CHEB/ -4.550e-02 -5.164e-03 -2.706e-03 -9.319e-04 / CHEB/ 7.530e-03 -1.833e-03 -9.743e-04 -4.056e-04 / CHEB/ -2.238e-02 -2.649e-04 -8.016e-05 -1.290e-05 / ! Reaction index: Chemkin #1204; RMG #6968 ! PDep reaction: PDepNetwork #175 ! Flux pairs: NH(T)(59), C2H5N(205); C2H4(24), C2H5N(205); NH(T)(59)+C2H4(24)(+M)=C2H5N(205)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 9.405e+00 3.581e-01 -4.184e-02 4.491e-03 / CHEB/ 2.301e-01 4.756e-01 -1.079e-03 -5.485e-03 / CHEB/ -3.540e-01 1.295e-01 3.174e-02 -9.014e-04 / CHEB/ -1.759e-01 -1.881e-02 1.109e-02 4.148e-03 / CHEB/ -5.074e-02 -2.678e-02 -5.864e-03 2.239e-03 / CHEB/ -3.911e-02 -8.006e-03 -6.395e-03 -2.700e-04 / ! Reaction index: Chemkin #1205; RMG #7403 ! PDep reaction: PDepNetwork #235 ! Flux pairs: C2H5N(205), C2H5N(196); C2H5N(205)(+M)=C2H5N(196)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 8.535e+00 8.060e-01 -5.998e-02 -3.925e-03 / CHEB/ -1.121e+00 3.462e-01 5.297e-02 2.292e-03 / CHEB/ -9.436e-01 1.368e-01 2.095e-02 1.288e-03 / CHEB/ -3.979e-01 3.328e-02 2.952e-03 3.413e-04 / CHEB/ -1.525e-01 5.321e-03 -4.774e-04 -6.712e-05 / CHEB/ -7.714e-02 1.068e-02 7.300e-04 -5.404e-04 / ! Reaction index: Chemkin #1206; RMG #7122 ! PDep reaction: PDepNetwork #85 ! Flux pairs: C2H4N(164), CH2NH(25); H(5), CH2(T)(35); H(5)+C2H4N(164)(+M)=CH2(T)(35)+CH2NH(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 6.892e+00 -5.913e-02 -2.485e-02 -6.533e-03 / CHEB/ -1.170e+00 7.215e-02 2.935e-02 7.080e-03 / CHEB/ -6.663e-01 -1.125e-02 -3.351e-03 -1.799e-05 / CHEB/ -2.396e-01 -3.168e-03 -1.755e-03 -6.949e-04 / CHEB/ -1.084e-01 -5.957e-04 -3.365e-04 -1.585e-04 / CHEB/ -5.326e-02 3.102e-04 1.559e-04 5.500e-05 / ! Reaction index: Chemkin #1207; RMG #7129 ! PDep reaction: PDepNetwork #111 ! Flux pairs: CH2NH(25), CH2NH(25); CH2(S)(41), CH2(T)(35); CH2(S)(41)+CH2NH(25)(+M)=CH2(T)(35)+CH2NH(25)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 6.856e+00 -6.418e-02 -2.724e-02 -7.338e-03 / CHEB/ -9.749e-01 7.764e-02 3.194e-02 7.955e-03 / CHEB/ -4.428e-01 -1.119e-02 -3.325e-03 -1.095e-05 / CHEB/ -1.628e-01 -3.596e-03 -1.954e-03 -7.607e-04 / CHEB/ -8.383e-02 -7.975e-04 -4.302e-04 -1.888e-04 / CHEB/ -4.716e-02 3.800e-04 1.895e-04 6.670e-05 / ! Reaction index: Chemkin #1208; RMG #7136 ! PDep reaction: PDepNetwork #131 ! Flux pairs: CH2(T)(35), C2H5N(205); CH2NH(25), C2H5N(205); CH2(T)(35)+CH2NH(25)(+M)=C2H5N(205)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 5.882e+00 9.350e-01 -2.698e-02 -6.884e-03 / CHEB/ -4.177e-02 7.578e-02 3.026e-02 6.941e-03 / CHEB/ -1.135e+00 -8.324e-03 -1.886e-03 4.942e-04 / CHEB/ -3.318e-01 -3.240e-03 -1.705e-03 -6.192e-04 / CHEB/ -9.930e-02 -1.314e-03 -6.583e-04 -2.529e-04 / CHEB/ -6.464e-02 -2.803e-05 -1.136e-05 -6.601e-06 / ! Reaction index: Chemkin #1209; RMG #5493 ! PDep reaction: PDepNetwork #30 ! Flux pairs: C2H5N(23), C2H5N(201); C2H5N(23)(+M)=C2H5N(201)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ -1.763e+01 -3.196e-01 -7.832e-02 5.747e-03 / CHEB/ 2.422e+01 7.759e-01 5.857e-04 -7.038e-03 / CHEB/ -7.572e-01 2.851e-01 2.653e-02 -1.736e-04 / CHEB/ -5.070e-01 4.876e-02 1.203e-02 2.079e-03 / CHEB/ -2.470e-01 -1.192e-02 5.405e-04 7.401e-04 / CHEB/ -9.915e-02 -1.176e-02 -1.298e-03 -9.266e-05 / ! Reaction index: Chemkin #1210; RMG #7125 ! PDep reaction: PDepNetwork #85 ! Flux pairs: H(5), C2H5N(201); C2H4N(164), C2H5N(201); H(5)+C2H4N(164)(+M)=C2H5N(201)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.052e+01 8.880e-01 -4.393e-02 -9.904e-03 / CHEB/ -1.783e+00 1.298e-01 4.813e-02 9.198e-03 / CHEB/ -6.501e-01 -1.150e-02 -9.068e-04 1.848e-03 / CHEB/ -2.462e-01 -6.731e-03 -3.346e-03 -1.027e-03 / CHEB/ -8.119e-02 -2.219e-03 -1.210e-03 -5.111e-04 / CHEB/ -1.689e-02 -1.824e-04 -6.528e-05 -2.828e-05 / ! Reaction index: Chemkin #1211; RMG #7132 ! PDep reaction: PDepNetwork #111 ! Flux pairs: CH2(S)(41), C2H5N(201); CH2NH(25), C2H5N(201); CH2(S)(41)+CH2NH(25)(+M)=C2H5N(201)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.029e+01 9.057e-01 -3.782e-02 -8.948e-03 / CHEB/ -1.073e+00 1.098e-01 4.195e-02 8.643e-03 / CHEB/ -4.424e-01 -1.083e-02 -1.592e-03 1.242e-03 / CHEB/ -1.804e-01 -4.743e-03 -2.482e-03 -8.405e-04 / CHEB/ -5.934e-02 -1.755e-03 -9.236e-04 -3.785e-04 / CHEB/ -7.618e-03 -5.542e-04 -2.128e-04 -5.529e-05 / ! Reaction index: Chemkin #1212; RMG #7142 ! PDep reaction: PDepNetwork #131 ! Flux pairs: CH2(T)(35), C2H5N(201); CH2NH(25), C2H5N(201); CH2(T)(35)+CH2NH(25)(+M)=C2H5N(201)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 6.236e+00 9.256e-01 -3.133e-02 -8.287e-03 / CHEB/ -7.499e-01 8.446e-02 3.422e-02 8.199e-03 / CHEB/ -1.321e+00 -7.361e-03 -1.420e-03 6.536e-04 / CHEB/ -4.654e-01 -3.407e-03 -1.772e-03 -6.342e-04 / CHEB/ -1.650e-01 -1.616e-03 -7.940e-04 -2.938e-04 / CHEB/ -4.914e-02 -7.712e-05 -3.413e-05 -1.399e-05 / ! Reaction index: Chemkin #1213; RMG #7150 ! PDep reaction: PDepNetwork #175 ! Flux pairs: NH(T)(59), C2H5N(201); C2H4(24), C2H5N(201); NH(T)(59)+C2H4(24)(+M)=C2H5N(201)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.100e+01 4.644e-04 -1.144e-01 2.263e-03 / CHEB/ -4.987e-01 7.132e-01 4.824e-02 -8.452e-03 / CHEB/ -6.472e-01 1.684e-01 4.361e-02 1.474e-03 / CHEB/ -3.621e-01 -1.224e-02 1.283e-02 2.991e-03 / CHEB/ -1.505e-01 -2.962e-02 -2.601e-03 1.741e-03 / CHEB/ -4.842e-02 -1.448e-02 -4.545e-03 6.784e-04 / ! Reaction index: Chemkin #1214; RMG #7155 ! PDep reaction: PDepNetwork #234 ! Flux pairs: C2H5N(196), C2H5N(201); C2H5N(196)(+M)=C2H5N(201)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ -7.069e+00 1.074e-01 -4.425e-02 -4.786e-03 / CHEB/ 1.577e+01 3.731e-01 1.191e-02 7.132e-03 / CHEB/ -6.864e-01 1.810e-01 4.007e-03 2.283e-05 / CHEB/ -4.074e-01 5.806e-02 4.924e-03 -1.077e-03 / CHEB/ -1.982e-01 5.162e-03 4.710e-03 -9.151e-05 / CHEB/ -8.112e-02 -6.133e-03 3.312e-03 5.955e-04 / ! Reaction index: Chemkin #1215; RMG #7404 ! PDep reaction: PDepNetwork #235 ! Flux pairs: C2H5N(205), C2H5N(201); C2H5N(205)(+M)=C2H5N(201)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 8.591e+00 1.019e+00 -3.324e-02 -7.432e-03 / CHEB/ 4.559e-01 2.649e-01 2.746e-02 5.864e-03 / CHEB/ -7.570e-01 1.497e-01 5.422e-03 5.438e-04 / CHEB/ -3.366e-01 6.782e-02 -4.949e-04 -1.126e-03 / CHEB/ -1.569e-01 2.822e-02 1.967e-03 -7.250e-04 / CHEB/ -1.034e-01 1.260e-02 4.205e-03 1.321e-04 / ! Reaction index: Chemkin #1216; RMG #7408 ! PDep reaction: PDepNetwork #85 ! Flux pairs: C2H4N(164), H2CN(68); H(5), CH3(15); H(5)+C2H4N(164)(+M)=H2CN(68)+CH3(15)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.218e+01 -1.076e-01 -4.227e-02 -9.584e-03 / CHEB/ -3.523e-01 1.280e-01 4.781e-02 9.328e-03 / CHEB/ -1.623e-01 -1.405e-02 -2.064e-03 1.516e-03 / CHEB/ -6.183e-02 -7.284e-03 -3.680e-03 -1.182e-03 / CHEB/ -2.604e-02 -1.820e-03 -1.057e-03 -4.853e-04 / CHEB/ -1.297e-02 1.577e-04 9.635e-05 2.608e-05 / ! Reaction index: Chemkin #1217; RMG #7410 ! PDep reaction: PDepNetwork #96 ! Flux pairs: H2CN(68), C2H5N(201); CH3(15), C2H5N(201); H2CN(68)+CH3(15)(+M)=C2H5N(201)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.277e+01 2.388e-01 -2.295e-02 1.755e-03 / CHEB/ -7.465e-01 3.730e-01 -2.109e-02 -1.049e-03 / CHEB/ -5.481e-01 1.996e-01 4.814e-03 -2.692e-03 / CHEB/ -3.198e-01 6.797e-02 1.193e-02 -8.744e-04 / CHEB/ -1.543e-01 5.874e-03 7.034e-03 6.939e-04 / CHEB/ -5.981e-02 -9.791e-03 1.339e-03 7.374e-04 / ! Reaction index: Chemkin #1218; RMG #7411 ! PDep reaction: PDepNetwork #96 ! Flux pairs: H2CN(68), C2H5N(205); CH3(15), C2H5N(205); H2CN(68)+CH3(15)(+M)=C2H5N(205)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.036e+01 3.168e-01 -2.672e-02 3.206e-04 / CHEB/ 3.063e-01 4.900e-01 -1.119e-02 -1.520e-03 / CHEB/ -2.897e-01 2.131e-01 1.801e-02 -2.276e-03 / CHEB/ -1.705e-01 2.903e-02 1.647e-02 4.114e-04 / CHEB/ -6.460e-02 -2.933e-02 4.440e-03 1.613e-03 / CHEB/ -4.521e-02 -2.428e-02 -1.963e-03 8.195e-04 / ! Reaction index: Chemkin #1219; RMG #7412 ! PDep reaction: PDepNetwork #96 ! Flux pairs: H2CN(68), C2H5N(196); CH3(15), C2H5N(196); H2CN(68)+CH3(15)(+M)=C2H5N(196)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.020e+01 -1.273e-01 -8.706e-02 1.096e-03 / CHEB/ -7.328e-01 6.731e-01 3.535e-02 -4.504e-03 / CHEB/ -6.174e-01 1.940e-01 1.915e-02 2.823e-03 / CHEB/ -3.249e-01 4.272e-02 3.609e-03 -2.000e-04 / CHEB/ -1.373e-01 2.127e-03 1.558e-03 -5.821e-04 / CHEB/ -4.574e-02 -6.490e-03 1.409e-03 2.609e-04 / ! Reaction index: Chemkin #1220; RMG #7425 ! PDep reaction: PDepNetwork #111 ! Flux pairs: CH2NH(25), H2CN(68); CH2(S)(41), CH3(15); CH2(S)(41)+CH2NH(25)(+M)=H2CN(68)+CH3(15)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.201e+01 -9.117e-02 -3.663e-02 -8.707e-03 / CHEB/ 2.836e-01 1.085e-01 4.169e-02 8.733e-03 / CHEB/ 1.669e-02 -1.230e-02 -2.292e-03 1.022e-03 / CHEB/ 6.107e-04 -5.225e-03 -2.741e-03 -9.489e-04 / CHEB/ -2.571e-03 -1.635e-03 -8.825e-04 -3.765e-04 / CHEB/ -2.591e-03 -3.358e-04 -1.149e-04 -2.534e-05 / ! Reaction index: Chemkin #1221; RMG #7427 ! PDep reaction: PDepNetwork #131 ! Flux pairs: CH2NH(25), H2CN(68); CH2(T)(35), CH3(15); CH2(T)(35)+CH2NH(25)(+M)=H2CN(68)+CH3(15)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 8.076e+00 -7.245e-02 -3.053e-02 -8.093e-03 / CHEB/ 5.403e-01 8.380e-02 3.406e-02 8.235e-03 / CHEB/ -8.853e-01 -8.236e-03 -1.836e-03 5.180e-04 / CHEB/ -2.930e-01 -3.752e-03 -1.948e-03 -7.024e-04 / CHEB/ -1.107e-01 -1.576e-03 -7.835e-04 -2.961e-04 / CHEB/ -4.438e-02 4.351e-05 2.099e-05 3.358e-06 / ! Reaction index: Chemkin #1222; RMG #7429 ! PDep reaction: PDepNetwork #175 ! Flux pairs: C2H4(24), H2CN(68); NH(T)(59), CH3(15); NH(T)(59)+C2H4(24)(+M)=H2CN(68)+CH3(15)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.085e+01 -8.529e-01 -1.048e-01 6.678e-04 / CHEB/ 1.417e+00 7.590e-01 6.678e-02 -5.663e-03 / CHEB/ -5.444e-02 9.559e-02 3.952e-02 4.984e-03 / CHEB/ -1.308e-01 -5.364e-02 -1.411e-04 3.994e-03 / CHEB/ -5.610e-02 -2.833e-02 -1.017e-02 7.082e-04 / CHEB/ -2.255e-02 -2.047e-03 -5.169e-03 -8.970e-04 / ! Reaction index: Chemkin #1223; RMG #80 ! Library reaction: FFCM1(-) ! Flux pairs: CO(30), HCCO(37); CH(34), HCCO(37); CO(30)+CH(34)(+M)=HCCO(37)(+M) 1.020e+15 -0.400 0.000 He(9)/0.70/ Ar/0.70/ CH4(16)/2.00/ H2O(8)/6.00/ CO2(31)/2.00/ CO(30)/1.50/ CH2O(36)/2.50/ C2H6(47)/3.00/ LOW/ 3.260e+24 -2.500 0.000 / TROE/ 4.000e-01 30 9e+04 9e+04 / ! Reaction index: Chemkin #1224; RMG #196 ! Library reaction: FFCM1(-) ! Flux pairs: HCCO(37), CO(30); H(5), CH2(S)(41); H(5)+HCCO(37)=CO(30)+CH2(S)(41) 1.320000e+14 0.000 0.000 ! Reaction index: Chemkin #1225; RMG #197 ! Library reaction: FFCM1(-) ! Flux pairs: HCCO(37), CO(30); O(6), H(5); O(6), CO(30); O(6)+HCCO(37)=H(5)+CO(30)+CO(30) 1.730000e+14 -0.112 0.000 ! Reaction index: Chemkin #1226; RMG #198 ! Library reaction: FFCM1(-) ! Flux pairs: HCCO(37), CO2(31); O(6), CH(34); O(6)+HCCO(37)=CO2(31)+CH(34) 2.950000e+13 0.000 1.113 ! Reaction index: Chemkin #1227; RMG #199 ! Library reaction: FFCM1(-) ! Flux pairs: HCCO(37), CO(30); O2(2), OH(3); O2(2), CO(30); O2(2)+HCCO(37)=OH(3)+CO(30)+CO(30) 1.567000e+12 0.000 0.854 ! Reaction index: Chemkin #1228; RMG #200 ! Library reaction: FFCM1(-) ! Flux pairs: HCCO(37), C2H2(39); CH(34), CO(30); CH(34)+HCCO(37)=CO(30)+C2H2(39) 5.000000e+13 0.000 0.000 ! Reaction index: Chemkin #1229; RMG #201 ! Library reaction: FFCM1(-) ! Flux pairs: HCCO(37), C2H3(46); CH2(T)(35), CO(30); CH2(T)(35)+HCCO(37)=CO(30)+C2H3(46) 3.000000e+13 0.000 0.000 ! Reaction index: Chemkin #1230; RMG #202 ! Library reaction: FFCM1(-) ! Flux pairs: HCCO(37), C2H2(39); HCCO(37), CO(30); HCCO(37), CO(30); HCCO(37)+HCCO(37)=CO(30)+CO(30)+C2H2(39) 1.000000e+13 0.000 0.000 ! Reaction index: Chemkin #1231; RMG #205 ! Library reaction: FFCM1(-) ! Flux pairs: C2H2(39), HCCO(37); O(6), H(5); O(6)+C2H2(39)=H(5)+HCCO(37) 8.679000e+08 1.400 2.206 ! Reaction index: Chemkin #1232; RMG #425 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: HCCO(37), CO2(31); NO(54), HCN(28); NO(54)+HCCO(37)=CO2(31)+HCN(28) 1.400000e+13 0.000 0.695 ! Reaction index: Chemkin #1233; RMG #830 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: HCCO(37), HCO(32); OH(3), HCO(32); OH(3)+HCCO(37)=HCO(32)+HCO(32) 1.000000e+13 0.000 0.000 ! Reaction index: Chemkin #1234; RMG #832 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: HCCO(37), CO2(31); O2(2), H(5); O2(2), CO(30); O2(2)+HCCO(37)=H(5)+CO(30)+CO2(31) 4.900000e+12 -0.100 1.150 ! Reaction index: Chemkin #1235; RMG #833 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: HCCO(37), HCO(32); O2(2), O(6); O2(2), CO(30); O2(2)+HCCO(37)=O(6)+CO(30)+HCO(32) 2.200000e+02 2.700 3.540 ! Reaction index: Chemkin #1236; RMG #971 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: C2H2(39), HCCO(37); NCO(76), HCN(28); NCO(76)+C2H2(39)=HCN(28)+HCCO(37) 1.400000e+12 0.000 1.815 ! Reaction index: Chemkin #1237; RMG #980 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: HCCO(37), CO(30); N(53), HCN(28); N(53)+HCCO(37)=CO(30)+HCN(28) 5.000000e+13 0.000 0.000 ! Reaction index: Chemkin #1238; RMG #8281 ! PDep reaction: PDepNetwork #16 ! Flux pairs: C2H4(24), CH2O(36); O(6), CH2(S)(41); O(6)+C2H4(24)(+M)=CH2(S)(41)+CH2O(36)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 8.826e+00 -1.482e-02 -6.658e-03 -2.063e-03 / CHEB/ 2.259e+00 1.606e-02 7.093e-03 2.135e-03 / CHEB/ 2.038e-01 -1.756e-04 6.702e-05 8.976e-05 / CHEB/ 4.721e-02 -1.131e-03 -5.255e-04 -1.654e-04 / CHEB/ 2.360e-03 -4.917e-04 -2.446e-04 -8.769e-05 / CHEB/ -2.044e-02 2.504e-04 1.302e-04 4.769e-05 / ! Reaction index: Chemkin #1239; RMG #8291 ! PDep reaction: PDepNetwork #16 ! Flux pairs: C2H4(24), C2H3(46); O(6), OH(3); O(6)+C2H4(24)(+M)=OH(3)+C2H3(46)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 7.976e+00 -9.178e-02 -3.793e-02 -9.656e-03 / CHEB/ 3.689e+00 1.063e-01 4.229e-02 9.771e-03 / CHEB/ 3.831e-01 -8.881e-03 -1.517e-03 8.942e-04 / CHEB/ 8.907e-02 -5.057e-03 -2.477e-03 -8.073e-04 / CHEB/ 6.053e-03 -1.174e-03 -7.528e-04 -3.666e-04 / CHEB/ -1.241e-02 -1.777e-03 -6.328e-04 -1.086e-04 / ! Reaction index: Chemkin #1240; RMG #272 ! Library reaction: FFCM1(-) OH(3)+C2H4(24)=H(5)+CH3CHO(52) 2.380000e-02 3.910 1.723 DUPLICATE ! Reaction index: Chemkin #1241; RMG #272 ! Library reaction: FFCM1(-) OH(3)+C2H4(24)=H(5)+CH3CHO(52) 3.190000e+05 2.190 5.256 DUPLICATE ! Reaction index: Chemkin #1242; RMG #278 ! Library reaction: FFCM1(-) ! Flux pairs: C2H5(48), CH3CHO(52); O(6), H(5); O(6)+C2H5(48)=H(5)+CH3CHO(52) 5.890000e+13 0.000 0.000 ! Reaction index: Chemkin #1243; RMG #8273 ! PDep reaction: PDepNetwork #16 ! Flux pairs: O(6), CH3CHO(52); C2H4(24), CH3CHO(52); O(6)+C2H4(24)(+M)=CH3CHO(52)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 9.296e+00 9.102e-01 -3.225e-02 -5.917e-03 / CHEB/ 6.965e-02 8.299e-02 2.620e-02 2.841e-03 / CHEB/ -2.185e-01 7.800e-03 6.113e-03 2.700e-03 / CHEB/ -1.492e-01 -1.658e-03 -4.254e-04 1.929e-04 / CHEB/ -6.560e-02 -2.206e-03 -1.080e-03 -3.234e-04 / CHEB/ -7.527e-03 -1.636e-03 -4.440e-04 -2.706e-05 / ! Reaction index: Chemkin #1244; RMG #8297 ! PDep reaction: PDepNetwork #16 ! Flux pairs: C2H4(24), CO(30); O(6), CH4(16); O(6)+C2H4(24)(+M)=CO(30)+CH4(16)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.152e+01 -8.161e-02 -2.922e-02 -5.285e-03 / CHEB/ 6.674e-01 8.369e-02 2.708e-02 3.322e-03 / CHEB/ 1.210e-01 4.241e-03 4.778e-03 2.482e-03 / CHEB/ 2.152e-02 -4.090e-03 -1.525e-03 -1.307e-04 / CHEB/ -3.711e-04 -2.778e-03 -1.420e-03 -4.782e-04 / CHEB/ -4.006e-03 -1.339e-03 -3.776e-04 -4.443e-05 / ! Reaction index: Chemkin #1245; RMG #8632 ! PDep reaction: PDepNetwork #246 ! Flux pairs: CH3CHO(52), CO(30); CH3CHO(52), CH4(16); CH3CHO(52)(+M)=CO(30)+CH4(16)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ -1.924e+01 3.659e-01 -5.325e-02 5.899e-03 / CHEB/ 2.625e+01 3.692e-01 -3.959e-03 -6.486e-03 / CHEB/ -7.208e-01 1.407e-01 1.482e-02 -2.961e-03 / CHEB/ -3.338e-01 3.368e-02 1.004e-02 -2.090e-04 / CHEB/ -1.429e-01 -1.565e-04 3.693e-03 3.839e-04 / CHEB/ -5.329e-02 -5.981e-03 7.251e-04 2.801e-04 / ! Reaction index: Chemkin #1246; RMG #8306 ! PDep reaction: PDepNetwork #90 ! Flux pairs: HCO(32), CH3CHO(52); CH3(15), CH3CHO(52); HCO(32)+CH3(15)(+M)=CH3CHO(52)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.294e+01 3.659e-01 -5.325e-02 5.899e-03 / CHEB/ -8.627e-01 3.692e-01 -3.959e-03 -6.486e-03 / CHEB/ -6.226e-01 1.407e-01 1.482e-02 -2.961e-03 / CHEB/ -2.649e-01 3.368e-02 1.004e-02 -2.090e-04 / CHEB/ -1.121e-01 -1.565e-04 3.693e-03 3.839e-04 / CHEB/ -4.096e-02 -5.981e-03 7.251e-04 2.801e-04 / ! Reaction index: Chemkin #1247; RMG #5944 ! Template reaction: Disproportionation ! Estimated using an average for rate rule [H_rad;CH_d_Rrad] ! Euclidian distance = 0 ! family: Disproportionation H(5)+CHNO(171)=H2(7)+NCO(76) 3.394113e+08 1.500 -0.890 ! Reaction index: Chemkin #1248; RMG #5947 ! Template reaction: Disproportionation ! Estimated using an average for rate rule [O_pri_rad;CH_d_Rrad] ! Euclidian distance = 0 ! family: Disproportionation OH(3)+CHNO(171)=H2O(8)+NCO(76) 1.697056e+06 2.000 -1.190 ! Reaction index: Chemkin #1249; RMG #5950 ! Template reaction: Disproportionation ! Estimated using an average for rate rule [O2b;CH_d_Rrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation O2(2)+CHNO(171)=HO2(10)+NCO(76) 5.200000e+15 -1.260 3.310 ! Reaction index: Chemkin #1250; RMG #5954 ! Template reaction: Disproportionation ! Estimated using an average for rate rule [O_rad/NonDeO;CH_d_Rrad] ! Euclidian distance = 0 ! family: Disproportionation HO2(10)+CHNO(171)=H2O2(11)+NCO(76) 1.400000e+04 2.690 -1.610 ! Reaction index: Chemkin #1251; RMG #5958 ! Template reaction: Disproportionation ! Estimated using template [C_sec_rad;XH_Rrad] for rate rule [C_rad/H/NonDeN;CH_d_Rrad] ! Euclidian distance = 2.23606797749979 ! family: Disproportionation CHNO(171)+C2H6N(13)=NCO(76)+NCC(1) 1.741091e+08 0.912 0.576 ! Reaction index: Chemkin #1252; RMG #5960 ! Template reaction: Disproportionation ! Estimated using template [C_rad/H2/Cs;XH_Rrad] for rate rule [C_rad/H2/Cs;CH_d_Rrad] ! Euclidian distance = 2.0 ! family: Disproportionation CHNO(171)+C2H6N(12)=NCO(76)+NCC(1) 2.306766e+12 -0.070 1.200 ! Reaction index: Chemkin #1253; RMG #5962 ! Template reaction: Disproportionation ! Estimated using template [N3s_rad/H/NonDe;XH_Rrad] for rate rule [N3s_rad/H/NonDeC;CH_d_Rrad] ! Euclidian distance = 2.23606797749979 ! family: Disproportionation CHNO(171)+C2H6N(14)=NCO(76)+NCC(1) 1.633401e+05 2.315 0.265 ! Reaction index: Chemkin #1254; RMG #5973 ! Template reaction: Disproportionation ! Estimated using an average for rate rule [O_atom_triplet;CH_d_Rrad] ! Euclidian distance = 0 ! family: Disproportionation O(6)+CHNO(171)=OH(3)+NCO(76) 1.700000e+08 1.500 -0.890 ! Reaction index: Chemkin #1255; RMG #5976 ! Template reaction: Disproportionation ! Estimated using template [Y_1centerbirad;CH_d_Rrad] for rate rule [CH2_triplet;CH_d_Rrad] ! Euclidian distance = 1.0 ! family: Disproportionation CHNO(171)+CH2(T)(35)=NCO(76)+CH3(15) 1.700000e+08 1.500 -0.890 ! Reaction index: Chemkin #1256; RMG #5991 ! Template reaction: Disproportionation ! Estimated using average of templates [Y_rad;CH_d_Rrad] + [Cd_pri_rad;XH_Rrad] for rate rule [Cd_pri_rad;CH_d_Rrad] ! Euclidian distance = 2.0 ! family: Disproportionation CHNO(171)+C2H3(46)=NCO(76)+C2H4(24) 5.270959e+09 0.884 0.033 ! Reaction index: Chemkin #1257; RMG #6001 ! Template reaction: Disproportionation ! Estimated using an average for rate rule [Y_rad;CH_d_Rrad] ! Euclidian distance = 0 ! family: Disproportionation CHNO(171)+HCNH(69)=NCO(76)+CH2NH(25) 4.301018e+06 1.908 -1.134 ! Reaction index: Chemkin #1258; RMG #6003 ! Template reaction: Disproportionation ! Estimated using template [N3d_rad;XH_d_Rrad] for rate rule [N3d_rad/C;CH_d_Rrad] ! Euclidian distance = 1.4142135623730951 ! family: Disproportionation CHNO(171)+H2CN(68)=NCO(76)+CH2NH(25) 1.200000e+06 2.000 -1.190 ! Reaction index: Chemkin #1259; RMG #6026 ! Template reaction: Disproportionation ! Estimated using template [Cd_rad;XH_Rrad] for rate rule [Cd_rad/NonDeN;CH_d_Rrad] ! Euclidian distance = 2.8284271247461903 ! family: Disproportionation CHNO(171)+C2H4N(150)=NCO(76)+C2H5N(23) 6.459636e+12 -0.140 1.200 ! Reaction index: Chemkin #1260; RMG #6028 ! Template reaction: Disproportionation ! Estimated using average of templates [Y_rad;CH_d_Rrad] + [Cd_pri_rad;XH_Rrad] for rate rule [Cd_pri_rad;CH_d_Rrad] ! Euclidian distance = 2.0 ! family: Disproportionation CHNO(171)+C2H4N(151)=NCO(76)+C2H5N(23) 5.270959e+09 0.884 0.033 ! Reaction index: Chemkin #1261; RMG #6030 ! Template reaction: Disproportionation ! Estimated using template [N3s_rad;CH_d_Rrad] for rate rule [N3s_rad/H/OneDe;CH_d_Rrad] ! Euclidian distance = 2.0 ! family: Disproportionation CHNO(171)+C2H4N(21)=NCO(76)+C2H5N(23) 1.286857e+06 1.940 -1.150 ! Reaction index: Chemkin #1262; RMG #6071 ! Template reaction: Disproportionation ! Estimated using template [Y_rad;CH_d_Rrad] for rate rule [C_methyl;CH_d_Rrad] ! Euclidian distance = 2.0 ! family: Disproportionation CHNO(171)+CH3(15)=NCO(76)+CH4(16) 4.301018e+06 1.908 -1.134 ! Reaction index: Chemkin #1263; RMG #6074 ! Template reaction: Disproportionation ! Estimated using average of templates [Y_rad;CH_d_Rrad] + [CO_pri_rad;XH_Rrad] for rate rule [CO_pri_rad;CH_d_Rrad] ! Euclidian distance = 2.0 ! family: Disproportionation HCO(32)+CHNO(171)=NCO(76)+CH2O(36) 2.790133e+10 0.954 -0.567 ! Reaction index: Chemkin #1264; RMG #6083 ! Template reaction: Disproportionation ! Estimated using template [N3d_rad;XH_d_Rrad] for rate rule [N3d_rad/C;CH_d_Rrad] ! Euclidian distance = 1.4142135623730951 ! family: Disproportionation CHNO(171)+C2H3N(165)=NCO(76)+C2H4N(21) 1.200000e+06 2.000 -1.190 ! Reaction index: Chemkin #1265; RMG #6094 ! Template reaction: Disproportionation ! Estimated using template [C_rad/H2/Cd;XH_Rrad] for rate rule [C_rad/H2/Cd;CH_d_Rrad] ! Euclidian distance = 2.0 ! family: Disproportionation CHNO(171)+C2H3N(165)=NCO(76)+CH3CHN(22) 2.087826e+12 -0.070 1.122 ! Reaction index: Chemkin #1266; RMG #6103 ! Template reaction: Disproportionation ! Estimated using template [Y_rad;CH_d_Rrad] for rate rule [Ct_rad/Nt;CH_d_Rrad] ! Euclidian distance = 2.0 ! family: Disproportionation CN(77)+CHNO(171)=NCO(76)+HCN(28) 4.301018e+06 1.908 -1.134 ! Reaction index: Chemkin #1267; RMG #6109 ! Template reaction: Disproportionation ! Estimated using template [N3d_rad;XH_d_Rrad] for rate rule [N3d_rad/C;CH_d_Rrad] ! Euclidian distance = 1.4142135623730951 ! family: Disproportionation CHNO(171)+CH2CN(124)=NCO(76)+CH2CNH(27) 1.200000e+06 2.000 -1.190 ! Reaction index: Chemkin #1268; RMG #6139 ! Template reaction: Disproportionation ! Estimated using template [C_rad/H2/Cd;XH_Rrad] for rate rule [C_rad/H2/Cd;CH_d_Rrad] ! Euclidian distance = 2.0 ! family: Disproportionation CHNO(171)+C2H4N(21)=NCO(76)+C2H5N(20) 2.087826e+12 -0.070 1.122 ! Reaction index: Chemkin #1269; RMG #6143 ! Template reaction: Disproportionation ! Estimated using template [N3d_rad;XH_d_Rrad] for rate rule [N3d_rad/C;CH_d_Rrad] ! Euclidian distance = 1.4142135623730951 ! family: Disproportionation CHNO(171)+CH3CHN(22)=NCO(76)+C2H5N(20) 1.200000e+06 2.000 -1.190 ! Reaction index: Chemkin #1270; RMG #6154 ! Template reaction: Disproportionation ! Estimated using template [C_rad/H2/Cs;XH_Rrad] for rate rule [C_rad/H2/Cs;CH_d_Rrad] ! Euclidian distance = 2.0 ! family: Disproportionation CHNO(171)+C2H5(48)=NCO(76)+C2H6(47) 2.306766e+12 -0.070 1.200 ! Reaction index: Chemkin #1271; RMG #6189 ! Template reaction: Disproportionation ! Estimated using template [Y_rad_birad_trirad_quadrad;CH_d_Rrad] for rate rule [CH_doublet;CH_d_Rrad] ! Euclidian distance = 2.0 ! family: Disproportionation CH(34)+CHNO(171)=NCO(76)+CH2(S)(41) 1.123371e+10 0.719 0.427 ! Reaction index: Chemkin #1272; RMG #6204 ! Template reaction: Disproportionation ! Estimated using template [C_pri_rad;XH_Rrad] for rate rule [C_rad/H2/Ct;CH_d_Rrad] ! Euclidian distance = 2.23606797749979 ! family: Disproportionation CHNO(171)+CH2CN(124)=NCO(76)+CH3CN(29) 1.732852e+12 -0.047 0.837 ! Reaction index: Chemkin #1273; RMG #6249 ! Template reaction: Disproportionation ! Estimated using template [Y_rad_birad_trirad_quadrad;CH_d_Rrad] for rate rule [N_atom_quartet;CH_d_Rrad] ! Euclidian distance = 2.0 ! family: Disproportionation N(53)+CHNO(171)=NH(T)(59)+NCO(76) 1.123371e+10 0.719 0.427 ! Reaction index: Chemkin #1274; RMG #6282 ! PDep reaction: PDepNetwork #215 ! Flux pairs: H(5), CHNO(171); NCO(76), CHNO(171); H(5)+NCO(76)(+M)=CHNO(171)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.257e+01 3.181e-01 -3.571e-02 1.432e-03 / CHEB/ -6.460e-02 3.368e-01 -6.431e-03 -3.533e-03 / CHEB/ -6.906e-02 1.026e-01 9.603e-03 -7.823e-04 / CHEB/ -8.574e-02 2.013e-02 4.078e-03 4.774e-04 / CHEB/ -5.605e-02 1.539e-03 1.014e-03 2.180e-04 / CHEB/ -5.277e-02 3.253e-03 1.693e-05 8.677e-06 / ! Reaction index: Chemkin #1275; RMG #6537 ! Template reaction: Disproportionation ! Estimated using template [N3d_rad;XH_d_Rrad] for rate rule [N3d_rad/C;CH_d_Rrad] ! Euclidian distance = 1.4142135623730951 ! family: Disproportionation NCO(76)+CHNO(171)=NCO(76)+HNCO(74) 1.200000e+06 2.000 -1.190 ! Reaction index: Chemkin #1276; RMG #9097 ! PDep reaction: PDepNetwork #247 ! Flux pairs: CHNO(171), HNCO(74); CHNO(171)(+M)=HNCO(74)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 8.318e+00 9.655e-01 -1.553e-02 -4.526e-03 / CHEB/ 1.214e+00 3.751e-02 1.521e-02 4.121e-03 / CHEB/ -1.004e-01 -4.780e-03 -2.159e-03 -2.561e-04 / CHEB/ -5.421e-02 4.450e-03 9.790e-04 8.329e-05 / CHEB/ -3.737e-02 -1.004e-03 -6.372e-04 -1.904e-05 / CHEB/ -5.009e-02 3.615e-03 9.404e-04 1.349e-04 / ! Reaction index: Chemkin #1277; RMG #7070 ! Template reaction: Disproportionation ! Estimated using template [C_sec_rad;XH_Rrad] for rate rule [C_rad/H/NonDeN;CH_d_Rrad] ! Euclidian distance = 2.23606797749979 ! family: Disproportionation CHNO(171)+C2H4N(164)=NCO(76)+C2H5N(196) 1.741091e+08 0.912 0.576 ! Reaction index: Chemkin #1278; RMG #8643 ! PDep reaction: PDepNetwork #56 ! Flux pairs: O(6), CHNO(171); HCN(28), CHNO(171); O(6)+HCN(28)(+M)=CHNO(171)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 6.502e+00 9.657e-01 -1.555e-02 -4.826e-03 / CHEB/ -8.009e-01 1.227e-02 5.569e-03 1.723e-03 / CHEB/ -6.471e-01 2.021e-03 9.680e-04 3.325e-04 / CHEB/ -2.539e-01 1.132e-03 5.160e-04 1.612e-04 / CHEB/ -1.108e-01 -5.150e-04 -2.194e-04 -5.869e-05 / CHEB/ -8.607e-02 1.770e-03 7.705e-04 2.183e-04 / ! Reaction index: Chemkin #1279; RMG #8644 ! PDep reaction: PDepNetwork #56 ! Flux pairs: O(6), HNCO(74); HCN(28), HNCO(74); O(6)+HCN(28)(+M)=HNCO(74)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 6.819e+00 9.612e-01 -1.760e-02 -5.476e-03 / CHEB/ -1.266e+00 1.129e-02 5.192e-03 1.653e-03 / CHEB/ -9.406e-01 1.210e-03 6.257e-04 2.421e-04 / CHEB/ -3.367e-01 7.176e-04 3.369e-04 1.109e-04 / CHEB/ -1.191e-01 -4.333e-04 -1.766e-04 -4.183e-05 / CHEB/ -6.050e-02 1.758e-03 7.586e-04 2.104e-04 / ! Reaction index: Chemkin #1280; RMG #9108 ! PDep reaction: PDepNetwork #219 ! Flux pairs: HNCO(74), CHNO(171); H(5), H(5); H(5)+HNCO(74)(+M)=H(5)+CHNO(171)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ -1.267e+01 -1.410e-05 -6.765e-06 -2.352e-06 / CHEB/ 2.167e+01 2.170e-06 1.041e-06 3.618e-07 / CHEB/ 1.495e-01 1.259e-06 6.039e-07 2.099e-07 / CHEB/ 5.710e-02 -4.610e-07 -2.211e-07 -7.686e-08 / CHEB/ 1.861e-02 -7.466e-07 -3.581e-07 -1.245e-07 / CHEB/ 5.279e-03 -8.822e-07 -4.231e-07 -1.471e-07 / ! Reaction index: Chemkin #1281; RMG #9109 ! PDep reaction: PDepNetwork #219 ! Flux pairs: HNCO(74), HCO(32); H(5), NH(T)(59); H(5)+HNCO(74)(+M)=NH(T)(59)+HCO(32)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ -1.356e+01 -1.299e-05 -6.230e-06 -2.166e-06 / CHEB/ 2.298e+01 -9.597e-07 -4.603e-07 -1.600e-07 / CHEB/ -1.907e-01 -6.851e-08 -3.285e-08 -1.142e-08 / CHEB/ -6.817e-02 -8.508e-07 -4.081e-07 -1.419e-07 / CHEB/ -2.346e-02 -9.644e-07 -4.625e-07 -1.608e-07 / CHEB/ -8.557e-03 -1.023e-06 -4.907e-07 -1.706e-07 / ! Reaction index: Chemkin #1282; RMG #312 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: O2(2), HNO(62); NH(T)(59), O(6); O2(2)+NH(T)(59)=O(6)+HNO(62) 4.600000e+05 2.000 6.494 ! Reaction index: Chemkin #1283; RMG #366 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: OH(3), HNO(62); NH(T)(59), H(5); OH(3)+NH(T)(59)=H(5)+HNO(62) 2.000000e+13 0.000 0.000 ! Reaction index: Chemkin #1284; RMG #433 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: HNO(62), NO(54); HNO(62), H(5); HNO(62)+M=NO(54)+H(5)+M 2.600e+16 0.000 48.654 ! Reaction index: Chemkin #1285; RMG #434 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: HNO(62), N2O(55); HNO(62), H2O(8); HNO(62)+HNO(62)=N2O(55)+H2O(8) 8.500000e+08 0.000 3.078 ! Reaction index: Chemkin #1286; RMG #435 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: HNO(62), NO(54); OH(3), H2O(8); OH(3)+HNO(62)=NO(54)+H2O(8) 1.300000e+07 1.880 -0.953 ! Reaction index: Chemkin #1287; RMG #436 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: HNO(62), NO(54); H(5), H2(7); H(5)+HNO(62)=NO(54)+H2(7) 4.500000e+11 0.720 0.655 ! Reaction index: Chemkin #1288; RMG #437 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: HNO(62), NO(54); O(6), OH(3); O(6)+HNO(62)=NO(54)+OH(3) 4.500000e+11 0.720 0.655 ! Reaction index: Chemkin #1289; RMG #439 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: HNO(62), N2O(55); NO(54), OH(3); NO(54)+HNO(62)=N2O(55)+OH(3) 8.500000e+12 0.000 29.570 ! Reaction index: Chemkin #1290; RMG #440 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: O2(2), HO2(10); HNO(62), NO(54); O2(2)+HNO(62)=NO(54)+HO2(10) 2.000000e+13 0.000 15.887 ! Reaction index: Chemkin #1291; RMG #441 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: CH3(15), CH4(16); HNO(62), NO(54); HNO(62)+CH3(15)=NO(54)+CH4(16) 8.200000e+05 1.870 29.252 ! Reaction index: Chemkin #1292; RMG #593 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: HNCO(74), CO(30); O(6), HNO(62); O(6)+HNCO(74)=HNO(62)+CO(30) 1.700000e+06 2.080 0.000 ! Reaction index: Chemkin #1293; RMG #894 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: CN(77), HCN(28); HNO(62), NO(54); HNO(62)+CN(77)=NO(54)+HCN(28) 1.800000e+13 0.000 0.000 ! Reaction index: Chemkin #1294; RMG #900 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: HNCO(74), CO2(31); O2(2), HNO(62); O2(2)+HNCO(74)=HNO(62)+CO2(31) 1.000000e+12 0.000 35.000 ! Reaction index: Chemkin #1295; RMG #912 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: NCO(76), HNCO(74); HNO(62), NO(54); HNO(62)+NCO(76)=NO(54)+HNCO(74) 1.800000e+13 0.000 0.000 ! Reaction index: Chemkin #1296; RMG #923 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: HCO(32), CO(30); NO(54), HNO(62); NO(54)+HCO(32)=HNO(62)+CO(30) 6.900000e+12 0.000 0.000 ! Reaction index: Chemkin #1297; RMG #927 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: HCO(32), CH2O(36); HNO(62), NO(54); HNO(62)+HCO(32)=NO(54)+CH2O(36) 5.800000e-01 3.800 0.115 ! Reaction index: Chemkin #1298; RMG #969 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: C2H3(46), C2H2(39); NO(54), HNO(62); NO(54)+C2H3(46)=HNO(62)+C2H2(39) 1.000000e+12 0.000 1.000 ! Reaction index: Chemkin #1299; RMG #6610 ! Template reaction: H_Abstraction ! Flux pairs: HNO(62), NO(54); HO2(10), H2O2(11); ! Estimated using template [N3d/H/NonDe;O_rad] for rate rule [N3d/H/NonDeO;O_rad/NonDeO] ! Euclidian distance = 2.23606797749979 ! family: H_Abstraction HO2(10)+HNO(62)=NO(54)+H2O2(11) 2.400000e+06 2.000 -1.190 ! Reaction index: Chemkin #1300; RMG #6614 ! Template reaction: H_Abstraction ! Flux pairs: HNO(62), NO(54); C2H6N(14), NCC(1); ! Estimated using template [N3d/H/NonDeO;N3s_rad] for rate rule [N3d/H/NonDeO;N3s_rad_pri] ! Euclidian distance = 1.0 ! family: H_Abstraction HNO(62)+C2H6N(14)=NO(54)+NCC(1) 9.200000e+05 1.940 -1.150 ! Reaction index: Chemkin #1301; RMG #6615 ! Template reaction: H_Abstraction ! Flux pairs: HNO(62), NO(54); C2H6N(13), NCC(1); ! Estimated using template [N3d/H/NonDeO;Cs_rad] for rate rule [N3d/H/NonDeO;C_rad/H/NonDeCN] ! Euclidian distance = 2.0 ! family: H_Abstraction HNO(62)+C2H6N(13)=NO(54)+NCC(1) 8.200000e+05 1.870 0.950 ! Reaction index: Chemkin #1302; RMG #6616 ! Template reaction: H_Abstraction ! Flux pairs: HNO(62), NO(54); C2H6N(12), NCC(1); ! Estimated using template [N3d/H/NonDeO;Cs_rad] for rate rule [N3d/H/NonDeO;C_rad/H2/Cs] ! Euclidian distance = 2.0 ! family: H_Abstraction HNO(62)+C2H6N(12)=NO(54)+NCC(1) 8.200000e+05 1.870 0.950 ! Reaction index: Chemkin #1303; RMG #6619 ! Template reaction: H_Abstraction ! Flux pairs: HNO(62), NO(54); CH2(T)(35), CH3(15); ! Estimated using template [N3d/H/NonDeO;Y_1centerbirad] for rate rule [N3d/H/NonDeO;CH2_triplet] ! Euclidian distance = 1.0 ! family: H_Abstraction HNO(62)+CH2(T)(35)=NO(54)+CH3(15) 4.500000e+11 0.720 0.660 ! Reaction index: Chemkin #1304; RMG #6620 ! Template reaction: Disproportionation ! Flux pairs: CH2NH2(26), CH2NH(25); NO(54), HNO(62); ! Estimated using template [N3_rad;N3s/H2_s_Rrad] for rate rule [N3d_rad/O;N3s/H2_s_Cssrad] ! Euclidian distance = 2.8284271247461903 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation NO(54)+CH2NH2(26)=HNO(62)+CH2NH(25) 1.819890e+06 1.940 -1.150 ! Reaction index: Chemkin #1305; RMG #6625 ! Template reaction: H_Abstraction ! Flux pairs: HNO(62), NO(54); C2H3(46), C2H4(24); ! Estimated using template [N3d/H/NonDeO;Y_rad] for rate rule [N3d/H/NonDeO;Cd_Cd\H2_pri_rad] ! Euclidian distance = 3.0 ! family: H_Abstraction HNO(62)+C2H3(46)=NO(54)+C2H4(24) 1.300000e+07 1.880 -0.950 ! Reaction index: Chemkin #1306; RMG #6630 ! Template reaction: H_Abstraction ! Flux pairs: HNO(62), NO(54); H2CN(68), CH2NH(25); ! Estimated using template [N3d/H/NonDeO;N3_rad] for rate rule [N3d/H/NonDeO;N3d_rad/OneDe] ! Euclidian distance = 2.0 ! family: H_Abstraction HNO(62)+H2CN(68)=NO(54)+CH2NH(25) 9.200000e+05 1.940 -1.150 ! Reaction index: Chemkin #1307; RMG #6631 ! Template reaction: H_Abstraction ! Flux pairs: HNO(62), NO(54); HCNH(69), CH2NH(25); ! From training reaction 651 used for N3d/H/NonDeO;Y_rad ! Exact match found for rate rule [N3d/H/NonDeO;Y_rad] ! Euclidian distance = 0 ! family: H_Abstraction HNO(62)+HCNH(69)=NO(54)+CH2NH(25) 1.300000e+07 1.880 -0.950 ! Reaction index: Chemkin #1308; RMG #6632 ! Template reaction: Disproportionation ! Flux pairs: C2H6N(13), C2H5N(20); NO(54), HNO(62); ! Estimated using template [N3_rad;N3s/H2_s_Rrad] for rate rule [N3d_rad/O;N3s/H2_s_Cssrad] ! Euclidian distance = 2.8284271247461903 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation NO(54)+C2H6N(13)=HNO(62)+C2H5N(20) 1.819890e+06 1.940 -1.150 ! Reaction index: Chemkin #1309; RMG #6633 ! Template reaction: Disproportionation ! Flux pairs: C2H6N(13), C2H5N(23); NO(54), HNO(62); ! Estimated using template [N3d_rad;XH_s_Rrad] for rate rule [N3d_rad/O;Cmethyl_Csrad] ! Euclidian distance = 2.23606797749979 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation NO(54)+C2H6N(13)=HNO(62)+C2H5N(23) 4.200000e+04 2.690 -1.610 ! Reaction index: Chemkin #1310; RMG #6641 ! Template reaction: H_Abstraction ! Flux pairs: HNO(62), NO(54); C2H4N(21), C2H5N(23); ! Estimated using template [N3d/H/NonDeO;N3s_rad] for rate rule [N3d/H/NonDeO;N3s_rad_pri] ! Euclidian distance = 1.0 ! family: H_Abstraction HNO(62)+C2H4N(21)=NO(54)+C2H5N(23) 9.200000e+05 1.940 -1.150 ! Reaction index: Chemkin #1311; RMG #6642 ! Template reaction: H_Abstraction ! Flux pairs: HNO(62), NO(54); C2H4N(150), C2H5N(23); ! Estimated using template [N3d/H/NonDeO;Y_rad] for rate rule [N3d/H/NonDeO;Cd_rad/NonDeN] ! Euclidian distance = 3.0 ! family: H_Abstraction HNO(62)+C2H4N(150)=NO(54)+C2H5N(23) 1.300000e+07 1.880 -0.950 ! Reaction index: Chemkin #1312; RMG #6643 ! Template reaction: H_Abstraction ! Flux pairs: HNO(62), NO(54); C2H4N(151), C2H5N(23); ! Estimated using template [N3d/H/NonDeO;Y_rad] for rate rule [N3d/H/NonDeO;Cd_pri_rad] ! Euclidian distance = 2.0 ! family: H_Abstraction HNO(62)+C2H4N(151)=NO(54)+C2H5N(23) 1.300000e+07 1.880 -0.950 ! Reaction index: Chemkin #1313; RMG #6644 ! Template reaction: Disproportionation ! Flux pairs: C2H6N(12), C2H5N(23); NO(54), HNO(62); ! Estimated using template [N3d_rad;XH_s_Rrad] for rate rule [N3d_rad/O;Cpri_Rrad] ! Euclidian distance = 1.4142135623730951 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation NO(54)+C2H6N(12)=HNO(62)+C2H5N(23) 2.800000e+04 2.690 -1.610 ! Reaction index: Chemkin #1314; RMG #6650 ! Template reaction: Disproportionation ! Flux pairs: C2H6N(14), C2H5N(20); NO(54), HNO(62); ! Estimated using average of templates [Y_rad;C/H2/Nd_Rrad] + [N3d_rad;XH_s_Rrad] for rate rule [N3d_rad/O;C/H2/Nd_Nrad] ! Euclidian distance = 3.1622776601683795 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation NO(54)+C2H6N(14)=HNO(62)+C2H5N(20) 1.549425e+08 1.445 -0.855 ! Reaction index: Chemkin #1315; RMG #6658 ! Template reaction: Disproportionation ! Flux pairs: C2H4N(21), CH2CNH(27); NO(54), HNO(62); ! Estimated using template [N3d_rad;XH_s_Rrad] for rate rule [N3d_rad/O;Cdpri_Csrad] ! Euclidian distance = 2.23606797749979 ! family: Disproportionation ! Ea raised from -6.7 to 20.5 kJ/mol to match endothermicity of reaction. NO(54)+C2H4N(21)=HNO(62)+CH2CNH(27) 1.400000e+04 2.690 4.908 ! Reaction index: Chemkin #1316; RMG #6663 ! Template reaction: H_Abstraction ! Flux pairs: HNO(62), NO(54); C2H3N(165), C2H4N(21); ! Estimated using template [N3d/H/NonDeO;N3_rad] for rate rule [N3d/H/NonDeO;N3d_rad/OneDe] ! Euclidian distance = 2.0 ! family: H_Abstraction HNO(62)+C2H3N(165)=NO(54)+C2H4N(21) 9.200000e+05 1.940 -1.150 ! Reaction index: Chemkin #1317; RMG #6664 ! Template reaction: Disproportionation ! Flux pairs: CH3CHN(22), CH3CN(29); NO(54), HNO(62); ! Estimated using template [N3_rad;CH_d_Rrad] for rate rule [N3d_rad/O;Cds/H/NonDe_d_Rrad] ! Euclidian distance = 2.8284271247461903 ! family: Disproportionation NO(54)+CH3CHN(22)=HNO(62)+CH3CN(29) 1.286857e+06 1.940 -1.150 ! Reaction index: Chemkin #1318; RMG #6667 ! Template reaction: H_Abstraction ! Flux pairs: HNO(62), NO(54); C2H3N(165), CH3CHN(22); ! Estimated using template [N3d/H/NonDeO;Cs_rad] for rate rule [N3d/H/NonDeO;C_pri_rad] ! Euclidian distance = 1.0 ! family: H_Abstraction HNO(62)+C2H3N(165)=NO(54)+CH3CHN(22) 8.200000e+05 1.870 0.950 ! Reaction index: Chemkin #1319; RMG #6671 ! Template reaction: H_Abstraction ! Flux pairs: HNO(62), NO(54); CH2CN(124), CH2CNH(27); ! Estimated using average of templates [N3_H;N3d_rad/OneDeC] + [N3d/H/NonDeO;N3_rad] for rate rule [N3d/H/NonDeO;N3d_rad/OneDeC] ! Euclidian distance = 3.0 ! family: H_Abstraction HNO(62)+CH2CN(124)=NO(54)+CH2CNH(27) 1.604992e+05 2.210 3.095 ! Reaction index: Chemkin #1320; RMG #6673 ! Template reaction: Disproportionation ! Flux pairs: C2H3N(165), CH2CN(124); NO(54), HNO(62); ! Estimated using template [N3d_rad/O;XH_d_Rrad] for rate rule [N3d_rad/O;CH_d_Rrad] ! Euclidian distance = 1.0 ! family: Disproportionation NO(54)+C2H3N(165)=HNO(62)+CH2CN(124) 1.200000e+06 2.000 -1.190 ! Reaction index: Chemkin #1321; RMG #6678 ! Template reaction: Disproportionation ! Flux pairs: HCNH(69), HCN(28); NO(54), HNO(62); ! Estimated using template [N3d_rad/O;N3d/H_d_Rrad] for rate rule [N3d_rad/O;N3d/H_d_Crad] ! Euclidian distance = 1.0 ! family: Disproportionation NO(54)+HCNH(69)=HNO(62)+HCN(28) 1.200000e+06 2.000 -1.190 ! Reaction index: Chemkin #1322; RMG #6685 ! Template reaction: H_Abstraction ! Flux pairs: HNO(62), NO(54); CH3CHN(22), C2H5N(20); ! Estimated using template [N3d/H/NonDeO;N3_rad] for rate rule [N3d/H/NonDeO;N3d_rad/OneDe] ! Euclidian distance = 2.0 ! family: H_Abstraction HNO(62)+CH3CHN(22)=NO(54)+C2H5N(20) 9.200000e+05 1.940 -1.150 ! Reaction index: Chemkin #1323; RMG #6686 ! Template reaction: H_Abstraction ! Flux pairs: HNO(62), NO(54); C2H4N(21), C2H5N(20); ! Estimated using template [N3d/H/NonDeO;Cs_rad] for rate rule [N3d/H/NonDeO;C_pri_rad] ! Euclidian distance = 1.0 ! family: H_Abstraction HNO(62)+C2H4N(21)=NO(54)+C2H5N(20) 8.200000e+05 1.870 0.950 ! Reaction index: Chemkin #1324; RMG #6689 ! Template reaction: H_Abstraction ! Flux pairs: HNO(62), NO(54); C2H5(48), C2H6(47); ! Estimated using template [N3d/H/NonDeO;Cs_rad] for rate rule [N3d/H/NonDeO;C_rad/H2/Cs\H3] ! Euclidian distance = 3.0 ! family: H_Abstraction HNO(62)+C2H5(48)=NO(54)+C2H6(47) 8.200000e+05 1.870 0.950 ! Reaction index: Chemkin #1325; RMG #6690 ! Template reaction: Disproportionation ! Flux pairs: C2H4N(164), C2H3N(178); NO(54), HNO(62); ! Estimated using template [N3_rad;N3H_s_Rrad] for rate rule [N3d_rad/O;N3s/H/NonDe_s_Rrad] ! Euclidian distance = 2.23606797749979 ! family: Disproportionation ! Ea raised from -4.8 to 60.2 kJ/mol to match endothermicity of reaction. NO(54)+C2H4N(164)=HNO(62)+C2H3N(178) 9.099451e+05 1.940 14.394 ! Reaction index: Chemkin #1326; RMG #6698 ! Template reaction: Disproportionation ! Flux pairs: H2CN(68), HCN(28); NO(54), HNO(62); ! Estimated using template [N3_rad;Cds/H2_d_N3rad] for rate rule [N3d_rad/O;Cds/H2_d_N3rad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation NO(54)+H2CN(68)=HNO(62)+HCN(28) 1.840000e+06 1.940 -1.150 ! Reaction index: Chemkin #1327; RMG #6704 ! Template reaction: H_Abstraction ! Flux pairs: HNO(62), NO(54); CH(34), CH2(S)(41); ! Estimated using template [N3d/H/NonDeO;Y_rad_birad_trirad_quadrad] for rate rule [N3d/H/NonDeO;CH_doublet] ! Euclidian distance = 2.0 ! family: H_Abstraction HNO(62)+CH(34)=NO(54)+CH2(S)(41) 2.418677e+09 1.300 -0.145 ! Reaction index: Chemkin #1328; RMG #6712 ! Template reaction: H_Abstraction ! Flux pairs: HNO(62), NO(54); CH2CN(124), CH3CN(29); ! Estimated using template [N3d/H/NonDeO;Cs_rad] for rate rule [N3d/H/NonDeO;C_rad/H2/Ct] ! Euclidian distance = 2.0 ! family: H_Abstraction HNO(62)+CH2CN(124)=NO(54)+CH3CN(29) 8.200000e+05 1.870 0.950 ! Reaction index: Chemkin #1329; RMG #6719 ! Template reaction: Disproportionation ! Flux pairs: C2H4N(150), CH2CNH(27); NO(54), HNO(62); ! Estimated using template [N3_rad;N3s/H2_s_Rrad] for rate rule [N3d_rad/O;N3s/H2_s_Cdsrad] ! Euclidian distance = 2.8284271247461903 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation NO(54)+C2H4N(150)=HNO(62)+CH2CNH(27) 1.819890e+06 1.940 -1.150 ! Reaction index: Chemkin #1330; RMG #6723 ! Template reaction: Disproportionation ! Flux pairs: C2H5(48), C2H4(24); NO(54), HNO(62); ! Estimated using template [N3d_rad;XH_s_Rrad] for rate rule [N3d_rad/O;Cmethyl_Csrad] ! Euclidian distance = 2.23606797749979 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation NO(54)+C2H5(48)=HNO(62)+C2H4(24) 4.200000e+04 2.690 -1.610 ! Reaction index: Chemkin #1331; RMG #6731 ! Template reaction: H_Abstraction ! Flux pairs: HNO(62), NO(54); N(53), NH(T)(59); ! Estimated using template [N3d/H/NonDeO;Y_rad_birad_trirad_quadrad] for rate rule [N3d/H/NonDeO;N_atom_quartet] ! Euclidian distance = 2.0 ! family: H_Abstraction N(53)+HNO(62)=NO(54)+NH(T)(59) 2.418677e+09 1.300 -0.145 ! Reaction index: Chemkin #1332; RMG #7087 ! Template reaction: H_Abstraction ! Flux pairs: HNO(62), NO(54); C2H4N(164), C2H5N(196); ! Estimated using template [N3d/H/NonDeO;Cs_rad] for rate rule [N3d/H/NonDeO;C_rad/H/NonDeCN] ! Euclidian distance = 2.0 ! family: H_Abstraction HNO(62)+C2H4N(164)=NO(54)+C2H5N(196) 8.200000e+05 1.870 0.950 ! Reaction index: Chemkin #1333; RMG #9032 ! Template reaction: Disproportionation ! Flux pairs: CHNO(171), NCO(76); NO(54), HNO(62); ! Estimated using template [N3d_rad;XH_s_Rrad] for rate rule [N3d_rad/O;Cdpri_Orad] ! Euclidian distance = 2.23606797749979 ! family: Disproportionation NO(54)+CHNO(171)=HNO(62)+NCO(76) 1.400000e+04 2.690 -1.610 ! Reaction index: Chemkin #1334; RMG #690 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: CH3CNO(99), C2H3(46); H(5), HNO(62); H(5)+CH3CNO(99)=HNO(62)+C2H3(46) 1.800000e+13 0.000 2.782 ! Reaction index: Chemkin #1335; RMG #302 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: HO2(10), NO2(57); NO(54), OH(3); NO(54)+HO2(10)=NO2(57)+OH(3) 2.200000e+12 0.000 -0.477 ! Reaction index: Chemkin #1336; RMG #311 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: O2(2), NO2(57); NH(T)(59), H(5); O2(2)+NH(T)(59)=NO2(57)+H(5) 2.300000e+10 0.000 2.482 ! Reaction index: Chemkin #1337; RMG #426 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: NO2(57), NO(54); H(5), OH(3); NO2(57)+H(5)=NO(54)+OH(3) 1.300000e+14 0.000 0.357 ! Reaction index: Chemkin #1338; RMG #427 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: NO2(57), O2(2); O(6), NO(54); O(6)+NO2(57)=O2(2)+NO(54) 3.900000e+12 0.000 -0.238 ! Reaction index: Chemkin #1339; RMG #428 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: NO2(57), O(6); NO2(57), NO(54); NO2(57)+M=O(6)+NO(54)+M 5.700e+15 0.000 59.954 ! Reaction index: Chemkin #1340; RMG #500 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: CN(77), NCO(76); NO2(57), NO(54); NO2(57)+CN(77)=NO(54)+NCO(76) 6.200000e+15 -0.750 0.348 ! Reaction index: Chemkin #1341; RMG #574 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: NCO(76), CO2(31); NO2(57), N2O(55); NO2(57)+NCO(76)=N2O(55)+CO2(31) 2.300000e+12 0.000 -0.874 ! Reaction index: Chemkin #1342; RMG #575 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: NCO(76), CO(30); NO2(57), NO(54); NO2(57), NO(54); NO2(57)+NCO(76)=NO(54)+NO(54)+CO(30) 2.100000e+11 0.000 -0.874 ! Reaction index: Chemkin #1343; RMG #692 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: CH3CNO(99), C2H3(46); O(6), NO2(57); O(6)+CH3CNO(99)=NO2(57)+C2H3(46) 1.700000e+08 2.100 0.000 ! Reaction index: Chemkin #1344; RMG #871 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: NO2(57), O2(2); NO2(57), NO(54); NO2(57), NO(54); NO2(57)+NO2(57)=O2(2)+NO(54)+NO(54) 4.500000e+12 0.000 27.599 ! Reaction index: Chemkin #1345; RMG #892 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: CN(77), CO(30); NO2(57), N2O(55); NO2(57)+CN(77)=N2O(55)+CO(30) 4.900000e+14 -0.800 0.344 ! Reaction index: Chemkin #1346; RMG #915 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: CO(30), CO2(31); NO2(57), NO(54); NO2(57)+CO(30)=NO(54)+CO2(31) 9.000000e+13 0.000 33.800 ! Reaction index: Chemkin #1347; RMG #924 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: HCO(32), CO2(31); NO2(57), H(5); NO2(57), NO(54); NO2(57)+HCO(32)=NO(54)+H(5)+CO2(31) 2.300000e+13 0.000 0.000 ! Reaction index: Chemkin #1348; RMG #926 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: HCO(32), CO(30); NO2(57), OH(3); NO2(57), NO(54); NO2(57)+HCO(32)=NO(54)+OH(3)+CO(30) 5.000000e+12 0.000 0.000 ! Reaction index: Chemkin #1349; RMG #938 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: CH2(T)(35), CH2O(36); NO2(57), NO(54); NO2(57)+CH2(T)(35)=NO(54)+CH2O(36) 5.900000e+13 0.000 0.000 ! Reaction index: Chemkin #1350; RMG #945 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: CH(34), HCO(32); NO2(57), NO(54); NO2(57)+CH(34)=NO(54)+HCO(32) 1.000000e+14 0.000 0.000 ! Reaction index: Chemkin #1351; RMG #689 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: CH3CNO(99), S(106); H(5), H2(7); H(5)+CH3CNO(99)=H2(7)+S(106) 4.400000e+08 1.500 0.378 ! Reaction index: Chemkin #1352; RMG #691 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: CH3CNO(99), S(106); O(6), OH(3); O(6)+CH3CNO(99)=OH(3)+S(106) 3.300000e+08 1.500 3.616 ! Reaction index: Chemkin #1353; RMG #693 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: CH3CNO(99), S(106); OH(3), H2O(8); OH(3)+CH3CNO(99)=H2O(8)+S(106) 3.600000e+06 2.000 -1.192 ! Reaction index: Chemkin #1354; RMG #9824 ! PDep reaction: PDepNetwork #278 ! Flux pairs: S(106), NO(54); S(106), C2H2(39); S(106)(+M)=NO(54)+C2H2(39)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 8.100e+00 8.950e-01 -1.451e-02 -2.199e-04 / CHEB/ 1.533e+00 1.301e-01 1.640e-02 4.606e-04 / CHEB/ -1.305e-01 -1.749e-02 -8.318e-04 -3.449e-04 / CHEB/ -3.442e-02 -9.695e-03 -2.751e-04 -6.504e-05 / CHEB/ -5.025e-02 3.351e-03 -1.101e-03 3.373e-04 / CHEB/ -3.505e-02 -1.186e-03 2.331e-04 -1.801e-04 / ! Reaction index: Chemkin #1355; RMG #847 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: NH(S)(56), N(53); H(5), H2(7); H(5)+NH(S)(56)=N(53)+H2(7) 3.000000e+13 0.000 0.000 ! Reaction index: Chemkin #1356; RMG #848 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: O(6), NO(54); NH(S)(56), H(5); O(6)+NH(S)(56)=NO(54)+H(5) 9.200000e+13 0.000 0.000 ! Reaction index: Chemkin #1357; RMG #849 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: OH(3), HNO(62); NH(S)(56), H(5); OH(3)+NH(S)(56)=H(5)+HNO(62) 2.000000e+13 0.000 0.000 ! Reaction index: Chemkin #1358; RMG #850 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: OH(3), H2O(8); NH(S)(56), N(53); OH(3)+NH(S)(56)=N(53)+H2O(8) 5.000000e+11 0.500 2.000 ! Reaction index: Chemkin #1359; RMG #851 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: O2(2), HNO(62); NH(S)(56), O(6); O2(2)+NH(S)(56)=O(6)+HNO(62) 4.600000e+05 2.000 6.500 ! Reaction index: Chemkin #1360; RMG #852 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: O2(2), NO(54); NH(S)(56), OH(3); O2(2)+NH(S)(56)=NO(54)+OH(3) 1.300000e+06 1.500 0.100 ! Reaction index: Chemkin #1361; RMG #855 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: NO(54), N2O(55); NH(S)(56), H(5); NO(54)+NH(S)(56)=N2O(55)+H(5) 2.900000e+14 -0.400 0.000 ! Reaction index: Chemkin #1362; RMG #858 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: NO2(57), N2O(55); NH(S)(56), OH(3); NO2(57)+NH(S)(56)=N2O(55)+OH(3) 1.000000e+13 0.000 0.000 ! Reaction index: Chemkin #1363; RMG #886 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: HCN(28), CO(30); O(6), NH(S)(56); O(6)+HCN(28)=NH(S)(56)+CO(30) 3.500000e+03 2.600 4.980 ! Reaction index: Chemkin #1364; RMG #889 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: HNC(87), CO(30); O(6), NH(S)(56); O(6)+HNC(87)=NH(S)(56)+CO(30) 4.600000e+12 0.000 2.200 ! Reaction index: Chemkin #1365; RMG #898 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: HNCO(74), CO2(31); O(6), NH(S)(56); O(6)+HNCO(74)=NH(S)(56)+CO2(31) 9.600000e+07 1.400 8.520 ! Reaction index: Chemkin #1366; RMG #908 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: NCO(76), CO(30); H(5), NH(S)(56); H(5)+NCO(76)=NH(S)(56)+CO(30) 7.200000e+13 0.000 1.000 ! Reaction index: Chemkin #1367; RMG #944 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: CH(34), CO(30); NO(54), NH(S)(56); NO(54)+CH(34)=NH(S)(56)+CO(30) 9.100000e+12 0.000 0.000 ! Reaction index: Chemkin #1368; RMG #999 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: HNCO(74), NH(S)(56); HNCO(74), CO(30); HNCO(74)+M=NH(S)(56)+CO(30)+M 1.100e+16 0.000 86.000 N2(42)/1.50/ ! Reaction index: Chemkin #1369; RMG #3279 ! PDep reaction: PDepNetwork #30 ! Flux pairs: C2H5N(23), NH(S)(56); C2H5N(23), C2H4(24); C2H5N(23)(+M)=NH(S)(56)+C2H4(24)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ -2.186e+01 -4.639e-02 -8.469e-02 -3.214e-03 / CHEB/ 2.718e+01 5.896e-01 3.053e-02 3.209e-03 / CHEB/ -6.165e-01 1.989e-01 8.315e-03 1.374e-03 / CHEB/ -3.845e-01 4.612e-02 2.015e-03 -1.612e-03 / CHEB/ -1.968e-01 4.845e-03 2.820e-03 -1.204e-03 / CHEB/ -8.027e-02 -5.424e-03 2.439e-03 -3.111e-05 / ! Reaction index: Chemkin #1370; RMG #4962 ! PDep reaction: PDepNetwork #166 ! Flux pairs: CH2CN(124), C2H2(39); H(5), NH(S)(56); H(5)+CH2CN(124)(+M)=NH(S)(56)+C2H2(39)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 3.817e+00 -1.248e-02 -5.907e-03 -1.999e-03 / CHEB/ 7.540e+00 9.037e-03 4.258e-03 1.428e-03 / CHEB/ -2.672e-01 1.558e-03 7.388e-04 2.512e-04 / CHEB/ -1.821e-01 -9.749e-04 -4.545e-04 -1.492e-04 / CHEB/ -8.985e-02 -2.895e-04 -1.381e-04 -4.751e-05 / CHEB/ -3.842e-02 -1.055e-04 -5.088e-05 -1.787e-05 / ! Reaction index: Chemkin #1371; RMG #6956 ! PDep reaction: PDepNetwork #85 ! Flux pairs: C2H4N(164), C2H4(24); H(5), NH(S)(56); H(5)+C2H4N(164)(+M)=NH(S)(56)+C2H4(24)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.117e+01 -2.412e-03 -1.083e-03 -3.401e-04 / CHEB/ -1.184e-01 3.122e-03 1.380e-03 4.239e-04 / CHEB/ 4.171e-02 -6.198e-04 -2.425e-04 -6.066e-05 / CHEB/ 1.735e-02 -1.072e-04 -6.321e-05 -2.519e-05 / CHEB/ 1.086e-03 -2.641e-06 -1.741e-06 -1.665e-06 / CHEB/ -2.718e-03 -1.814e-05 -8.305e-06 -2.747e-06 / ! Reaction index: Chemkin #1372; RMG #6962 ! PDep reaction: PDepNetwork #111 ! Flux pairs: CH2NH(25), C2H4(24); CH2(S)(41), NH(S)(56); CH2(S)(41)+CH2NH(25)(+M)=NH(S)(56)+C2H4(24)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 9.519e+00 -9.129e-03 -3.157e-03 -4.748e-04 / CHEB/ 2.427e-01 1.302e-02 4.280e-03 5.027e-04 / CHEB/ 1.126e-02 -4.535e-03 -1.171e-03 6.578e-05 / CHEB/ 1.449e-02 7.156e-04 3.797e-05 -1.093e-04 / CHEB/ 4.427e-03 -1.436e-04 -2.095e-05 4.769e-06 / CHEB/ -8.708e-04 -4.663e-06 2.771e-07 2.327e-06 / ! Reaction index: Chemkin #1373; RMG #6967 ! PDep reaction: PDepNetwork #175 ! Flux pairs: C2H4(24), C2H4(24); NH(T)(59), NH(S)(56); NH(T)(59)+C2H4(24)(+M)=NH(S)(56)+C2H4(24)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 8.631e+00 -2.522e-01 -5.378e-02 -5.623e-03 / CHEB/ 2.145e+00 2.206e-01 5.494e-02 5.626e-03 / CHEB/ 2.334e-01 -1.136e-02 4.149e-04 5.222e-03 / CHEB/ 1.870e-02 -1.839e-02 -1.104e-02 -7.844e-05 / CHEB/ -1.167e-02 3.460e-03 -2.799e-03 -1.733e-03 / CHEB/ -1.475e-02 5.316e-03 2.900e-03 -9.856e-04 / ! Reaction index: Chemkin #1374; RMG #9943 ! PDep reaction: PDepNetwork #280 ! Flux pairs: NH(S)(56), C2H5N(196); C2H4(24), C2H5N(196); NH(S)(56)+C2H4(24)(+M)=C2H5N(196)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 9.159e+00 8.955e-01 -3.879e-02 -8.884e-03 / CHEB/ -4.918e-01 1.148e-01 4.040e-02 8.036e-03 / CHEB/ -5.797e-01 -4.399e-03 8.224e-04 1.599e-03 / CHEB/ -2.289e-01 -5.069e-03 -2.062e-03 -6.027e-04 / CHEB/ -6.591e-02 -2.449e-03 -1.130e-03 -4.171e-04 / CHEB/ -1.591e-03 -1.897e-03 -7.150e-04 -1.399e-04 / ! Reaction index: Chemkin #1375; RMG #7146 ! PDep reaction: PDepNetwork #131 ! Flux pairs: CH2NH(25), C2H4(24); CH2(T)(35), NH(S)(56); CH2(T)(35)+CH2NH(25)(+M)=NH(S)(56)+C2H4(24)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 4.348e+00 -6.498e-02 -2.709e-02 -6.980e-03 / CHEB/ 1.157e-02 7.661e-02 3.077e-02 7.184e-03 / CHEB/ -9.268e-01 -9.045e-03 -2.228e-03 3.830e-04 / CHEB/ -2.871e-01 -3.404e-03 -1.797e-03 -6.595e-04 / CHEB/ -1.059e-01 -1.266e-03 -6.398e-04 -2.499e-04 / CHEB/ -4.491e-02 3.671e-05 1.826e-05 2.802e-06 / ! Reaction index: Chemkin #1376; RMG #9949 ! PDep reaction: PDepNetwork #280 ! Flux pairs: C2H4(24), H2CN(68); NH(S)(56), CH3(15); NH(S)(56)+C2H4(24)(+M)=H2CN(68)+CH3(15)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 8.872e+00 -6.118e-01 -8.271e-02 -2.601e-03 / CHEB/ 1.291e+00 5.817e-01 5.167e-02 -7.341e-04 / CHEB/ -1.354e-01 9.522e-02 3.096e-02 -1.050e-03 / CHEB/ -1.109e-01 -2.923e-02 7.917e-03 2.852e-03 / CHEB/ -4.875e-02 -3.220e-02 -4.124e-03 1.843e-03 / CHEB/ -1.703e-02 -1.363e-02 -4.685e-03 -1.399e-04 / ! Reaction index: Chemkin #1377; RMG #9944 ! PDep reaction: PDepNetwork #280 ! Flux pairs: NH(S)(56), C2H5N(205); C2H4(24), C2H5N(205); NH(S)(56)+C2H4(24)(+M)=C2H5N(205)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 7.411e+00 6.200e-01 -1.567e-02 9.817e-04 / CHEB/ 1.793e-01 3.125e-01 -1.243e-02 1.131e-03 / CHEB/ -4.870e-01 9.114e-02 1.458e-02 -6.786e-03 / CHEB/ -1.598e-01 4.684e-03 1.439e-02 8.691e-04 / CHEB/ -3.899e-02 -1.839e-02 2.727e-03 2.954e-03 / CHEB/ -4.120e-02 -1.565e-02 -2.877e-03 1.141e-03 / ! Reaction index: Chemkin #1378; RMG #9945 ! PDep reaction: PDepNetwork #280 ! Flux pairs: NH(S)(56), C2H5N(201); C2H4(24), C2H5N(201); NH(S)(56)+C2H4(24)(+M)=C2H5N(201)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 8.996e+00 2.947e-01 -9.448e-02 -3.104e-03 / CHEB/ -4.845e-01 5.387e-01 3.679e-02 -4.584e-04 / CHEB/ -7.363e-01 1.371e-01 2.766e-02 -3.099e-03 / CHEB/ -3.522e-01 1.377e-02 1.374e-02 6.116e-04 / CHEB/ -1.451e-01 -1.532e-02 2.593e-03 1.713e-03 / CHEB/ -4.944e-02 -1.365e-02 -1.505e-03 8.343e-04 / ! Reaction index: Chemkin #1379; RMG #7787 ! Template reaction: Disproportionation ! Estimated using template [Y_rad;Cdpri_Rrad] for rate rule [H_rad;Cdpri_Orad] ! Euclidian distance = 1.4142135623730951 ! family: Disproportionation H(5)+C2H2O(206)=H2(7)+HCCO(37) 3.480312e+12 0.000 6.000 ! Reaction index: Chemkin #1380; RMG #7790 ! Template reaction: Disproportionation ! Estimated using template [O_pri_rad;Cdpri_Rrad] for rate rule [O_pri_rad;Cdpri_Orad] ! Euclidian distance = 1.0 ! family: Disproportionation OH(3)+C2H2O(206)=H2O(8)+HCCO(37) 6.030000e+12 0.000 6.000 ! Reaction index: Chemkin #1381; RMG #7793 ! Template reaction: Disproportionation ! Estimated using template [O2b;Cdpri_Rrad] for rate rule [O2b;Cdpri_Orad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation O2(2)+C2H2O(206)=HO2(10)+HCCO(37) 1.204400e+12 0.000 13.550 ! Reaction index: Chemkin #1382; RMG #7799 ! Template reaction: Disproportionation ! Estimated using template [O_rad/NonDeO;XH_s_Rrad] for rate rule [O_rad/NonDeO;Cdpri_Orad] ! Euclidian distance = 2.0 ! family: Disproportionation HO2(10)+C2H2O(206)=H2O2(11)+HCCO(37) 4.158935e+06 2.018 -1.200 ! Reaction index: Chemkin #1383; RMG #7804 ! Template reaction: Disproportionation ! Estimated using template [C_sec_rad;Cdpri_Rrad] for rate rule [C_rad/H/NonDeN;Cdpri_Orad] ! Euclidian distance = 1.4142135623730951 ! family: Disproportionation C2H2O(206)+C2H6N(13)=HCCO(37)+NCC(1) 4.580000e+12 0.000 6.000 ! Reaction index: Chemkin #1384; RMG #7806 ! Template reaction: Disproportionation ! Estimated using template [C_rad/H2/Cs;Cdpri_Rrad] for rate rule [C_rad/H2/Cs;Cdpri_Orad] ! Euclidian distance = 1.0 ! family: Disproportionation C2H2O(206)+C2H6N(12)=HCCO(37)+NCC(1) 9.640000e+11 0.000 6.000 ! Reaction index: Chemkin #1385; RMG #7808 ! Template reaction: Disproportionation ! Estimated using template [N3s_rad/H/NonDe;XH_s_Rrad] for rate rule [N3s_rad/H/NonDeC;Cdpri_Orad] ! Euclidian distance = 2.23606797749979 ! family: Disproportionation C2H2O(206)+C2H6N(14)=HCCO(37)+NCC(1) 1.633401e+05 2.315 0.265 ! Reaction index: Chemkin #1386; RMG #7820 ! Template reaction: Disproportionation ! Estimated using template [O_atom_triplet;XH_s_Rrad] for rate rule [O_atom_triplet;Cdpri_Orad] ! Euclidian distance = 2.0 ! family: Disproportionation O(6)+C2H2O(206)=OH(3)+HCCO(37) 2.837491e+09 1.250 -0.473 ! Reaction index: Chemkin #1387; RMG #7824 ! Template reaction: Disproportionation ! Estimated using template [CH2_triplet;XH_s_Rrad] for rate rule [CH2_triplet;Cdpri_Orad] ! Euclidian distance = 2.0 ! family: Disproportionation CH2(T)(35)+C2H2O(206)=CH3(15)+HCCO(37) 4.039648e+12 0.000 0.000 ! Reaction index: Chemkin #1388; RMG #7841 ! Template reaction: Disproportionation ! Estimated using template [Cd_pri_rad;Cdpri_Rrad] for rate rule [Cd_pri_rad;Cdpri_Orad] ! Euclidian distance = 1.0 ! family: Disproportionation C2H2O(206)+C2H3(46)=HCCO(37)+C2H4(24) 2.410000e+12 0.000 6.000 ! Reaction index: Chemkin #1389; RMG #7852 ! Template reaction: Disproportionation ! Estimated using template [Y_rad;Cdpri_Rrad] for rate rule [Y_rad;Cdpri_Orad] ! Euclidian distance = 1.0 ! family: Disproportionation HCNH(69)+C2H2O(206)=CH2NH(25)+HCCO(37) 3.480312e+12 0.000 6.000 ! Reaction index: Chemkin #1390; RMG #7854 ! Template reaction: Disproportionation ! Estimated using template [N3d_rad/C;XH_s_Rrad] for rate rule [N3d_rad/C;Cdpri_Orad] ! Euclidian distance = 2.0 ! family: Disproportionation H2CN(68)+C2H2O(206)=CH2NH(25)+HCCO(37) 1.400000e+04 2.690 -1.610 ! Reaction index: Chemkin #1391; RMG #7880 ! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cdpri_Rrad] for rate rule [Cd_rad/NonDeN;Cdpri_Orad] ! Euclidian distance = 2.23606797749979 ! family: Disproportionation C2H2O(206)+C2H4N(150)=HCCO(37)+C2H5N(23) 2.410000e+12 0.000 6.000 ! Reaction index: Chemkin #1392; RMG #7882 ! Template reaction: Disproportionation ! Estimated using template [Cd_pri_rad;Cdpri_Rrad] for rate rule [Cd_pri_rad;Cdpri_Orad] ! Euclidian distance = 1.0 ! family: Disproportionation C2H2O(206)+C2H4N(151)=HCCO(37)+C2H5N(23) 2.410000e+12 0.000 6.000 ! Reaction index: Chemkin #1393; RMG #7884 ! Template reaction: Disproportionation ! Estimated using template [N3s_rad_pri;XH_s_Rrad] for rate rule [N3s_rad/H/OneDe;Cdpri_Orad] ! Euclidian distance = 2.23606797749979 ! family: Disproportionation C2H2O(206)+C2H4N(21)=HCCO(37)+C2H5N(23) 1.633401e+05 2.315 0.265 ! Reaction index: Chemkin #1394; RMG #7929 ! Template reaction: Disproportionation ! Estimated using template [Cs_rad;Cdpri_Rrad] for rate rule [C_methyl;Cdpri_Orad] ! Euclidian distance = 1.4142135623730951 ! family: Disproportionation CH3(15)+C2H2O(206)=CH4(16)+HCCO(37) 3.354068e+12 0.000 6.000 ! Reaction index: Chemkin #1395; RMG #7934 ! Template reaction: Disproportionation ! Estimated using template [CO_pri_rad;XH_s_Rrad] for rate rule [CO_pri_rad;Cdpri_Orad] ! Euclidian distance = 2.0 ! family: Disproportionation HCO(32)+C2H2O(206)=CH2O(36)+HCCO(37) 1.810000e+14 0.000 0.000 ! Reaction index: Chemkin #1396; RMG #7946 ! Template reaction: Disproportionation ! Estimated using template [N3d_rad/C;XH_s_Rrad] for rate rule [N3d_rad/C;Cdpri_Orad] ! Euclidian distance = 2.0 ! family: Disproportionation C2H2O(206)+C2H3N(165)=HCCO(37)+C2H4N(21) 1.400000e+04 2.690 -1.610 ! Reaction index: Chemkin #1397; RMG #7962 ! Template reaction: Disproportionation ! Estimated using template [C_rad/H2/Cd;Cdpri_Rrad] for rate rule [C_rad/H2/Cd;Cdpri_Orad] ! Euclidian distance = 1.0 ! family: Disproportionation C2H2O(206)+C2H3N(165)=HCCO(37)+CH3CHN(22) 8.430000e+10 0.000 6.000 ! Reaction index: Chemkin #1398; RMG #7973 ! Template reaction: Disproportionation ! Estimated using average of templates [Y_rad;Cdpri_Rrad] + [Ct_rad;XH_s_Rrad] for rate rule [Ct_rad/Nt;Cdpri_Orad] ! Euclidian distance = 2.23606797749979 ! family: Disproportionation CN(77)+C2H2O(206)=HCN(28)+HCCO(37) 4.684088e+12 0.000 3.000 ! Reaction index: Chemkin #1399; RMG #7982 ! Template reaction: Disproportionation ! Estimated using template [N3d_rad/C;XH_s_Rrad] for rate rule [N3d_rad/C;Cdpri_Orad] ! Euclidian distance = 2.0 ! family: Disproportionation C2H2O(206)+CH2CN(124)=HCCO(37)+CH2CNH(27) 1.400000e+04 2.690 -1.610 ! Reaction index: Chemkin #1400; RMG #8021 ! Template reaction: Disproportionation ! Estimated using template [C_rad/H2/Cd;Cdpri_Rrad] for rate rule [C_rad/H2/Cd;Cdpri_Orad] ! Euclidian distance = 1.0 ! family: Disproportionation C2H2O(206)+C2H4N(21)=HCCO(37)+C2H5N(20) 8.430000e+10 0.000 6.000 ! Reaction index: Chemkin #1401; RMG #8025 ! Template reaction: Disproportionation ! Estimated using template [N3d_rad/C;XH_s_Rrad] for rate rule [N3d_rad/C;Cdpri_Orad] ! Euclidian distance = 2.0 ! family: Disproportionation C2H2O(206)+CH3CHN(22)=HCCO(37)+C2H5N(20) 1.400000e+04 2.690 -1.610 ! Reaction index: Chemkin #1402; RMG #8039 ! Template reaction: Disproportionation ! Estimated using template [C_rad/H2/Cs;Cdpri_Rrad] for rate rule [C_rad/H2/Cs;Cdpri_Orad] ! Euclidian distance = 1.0 ! family: Disproportionation C2H2O(206)+C2H5(48)=HCCO(37)+C2H6(47) 9.640000e+11 0.000 6.000 ! Reaction index: Chemkin #1403; RMG #8082 ! Template reaction: Disproportionation ! Estimated using template [Y_rad_birad_trirad_quadrad;Cdpri_Rrad] for rate rule [CH_doublet;Cdpri_Orad] ! Euclidian distance = 2.23606797749979 ! family: Disproportionation CH(34)+C2H2O(206)=CH2(S)(41)+HCCO(37) 1.279734e+11 0.000 6.517 ! Reaction index: Chemkin #1404; RMG #8099 ! Template reaction: Disproportionation ! Estimated using template [C_pri_rad;Cdpri_Rrad] for rate rule [C_rad/H2/Ct;Cdpri_Orad] ! Euclidian distance = 1.4142135623730951 ! family: Disproportionation C2H2O(206)+CH2CN(124)=HCCO(37)+CH3CN(29) 2.850705e+11 0.000 6.000 ! Reaction index: Chemkin #1405; RMG #8156 ! Template reaction: Disproportionation ! Estimated using template [Y_rad_birad_trirad_quadrad;Cdpri_Rrad] for rate rule [N_atom_quartet;Cdpri_Orad] ! Euclidian distance = 2.23606797749979 ! family: Disproportionation N(53)+C2H2O(206)=NH(T)(59)+HCCO(37) 1.279734e+11 0.000 6.517 ! Reaction index: Chemkin #1406; RMG #8201 ! Template reaction: Disproportionation ! Estimated using template [N3d_rad/C;XH_s_Rrad] for rate rule [N3d_rad/C;Cdpri_Orad] ! Euclidian distance = 2.0 ! family: Disproportionation NCO(76)+C2H2O(206)=HNCO(74)+HCCO(37) 1.400000e+04 2.690 -1.610 ! Reaction index: Chemkin #1407; RMG #8215 ! Template reaction: Disproportionation ! Estimated using template [C_sec_rad;Cdpri_Rrad] for rate rule [C_rad/H/NonDeN;Cdpri_Orad] ! Euclidian distance = 1.4142135623730951 ! family: Disproportionation C2H2O(206)+C2H4N(164)=HCCO(37)+C2H5N(196) 4.580000e+12 0.000 6.000 ! Reaction index: Chemkin #1408; RMG #9319 ! Template reaction: Disproportionation ! Estimated using template [N3d_rad;XH_s_Rrad] for rate rule [N3d_rad/O;Cdpri_Orad] ! Euclidian distance = 2.23606797749979 ! family: Disproportionation ! Ea raised from -6.7 to 30.1 kJ/mol to match endothermicity of reaction. NO(54)+C2H2O(206)=HNO(62)+HCCO(37) 1.400000e+04 2.690 7.185 ! Reaction index: Chemkin #1409; RMG #9967 ! PDep reaction: PDepNetwork #243 ! Flux pairs: H(5), C2H2O(206); HCCO(37), C2H2O(206); H(5)+HCCO(37)(+M)=C2H2O(206)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.276e+01 3.579e-01 -7.384e-03 -3.155e-03 / CHEB/ 4.690e-02 2.019e-01 -2.167e-02 6.716e-03 / CHEB/ -4.111e-02 1.092e-01 -9.023e-03 -3.038e-03 / CHEB/ -1.028e-01 4.740e-02 3.994e-03 -2.291e-03 / CHEB/ -9.165e-02 1.563e-02 4.328e-03 -1.163e-04 / CHEB/ -5.650e-02 2.578e-03 1.543e-03 5.229e-04 / ! Reaction index: Chemkin #1410; RMG #9975 ! PDep reaction: PDepNetwork #99 ! Flux pairs: O(6), C2H2O(206); C2H2(39), C2H2O(206); O(6)+C2H2(39)(+M)=C2H2O(206)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 7.996e+00 9.618e-01 -1.591e-02 -4.090e-03 / CHEB/ 1.602e+00 3.342e-02 1.303e-02 2.772e-03 / CHEB/ 9.221e-02 -5.303e-04 4.026e-04 4.844e-04 / CHEB/ -3.327e-02 -4.551e-04 -1.953e-04 -3.783e-05 / CHEB/ -6.323e-02 1.910e-04 8.160e-05 2.182e-05 / CHEB/ -4.682e-02 4.888e-04 2.053e-04 5.317e-05 / ! Reaction index: Chemkin #1411; RMG #119 ! Library reaction: FFCM1(-) ! Flux pairs: CH2O(36), CH2CO(45); CH(34), H(5); CH(34)+CH2O(36)=H(5)+CH2CO(45) 9.640000e+13 0.000 -0.517 ! Reaction index: Chemkin #1412; RMG #207 ! Library reaction: FFCM1(-) ! Flux pairs: C2H2(39), CH2CO(45); OH(3), H(5); OH(3)+C2H2(39)=H(5)+CH2CO(45) 8.670000e-01 3.566 -2.370 ! Reaction index: Chemkin #1413; RMG #213 ! Library reaction: FFCM1(-) ! Flux pairs: CO(30), CH2CO(45); CH2(T)(35), CH2CO(45); CO(30)+CH2(T)(35)(+M)=CH2CO(45)(+M) 8.100e+11 0.500 4.510 He(9)/0.70/ Ar/0.70/ CH4(16)/2.00/ H2O(8)/6.00/ CO2(31)/2.00/ CO(30)/1.50/ CH2O(36)/2.50/ C2H6(47)/3.00/ LOW/ 2.690e+33 -5.110 7.095 / TROE/ 5.910e-01 275 1.23e+03 5.18e+03 / ! Reaction index: Chemkin #1414; RMG #214 ! Library reaction: FFCM1(-) ! Flux pairs: CH2CO(45), HCCO(37); H(5), H2(7); H(5)+CH2CO(45)=H2(7)+HCCO(37) 4.200000e+07 1.900 11.850 ! Reaction index: Chemkin #1415; RMG #215 ! Library reaction: FFCM1(-) ! Flux pairs: CH2CO(45), CO(30); H(5), CH3(15); H(5)+CH2CO(45)=CO(30)+CH3(15) 7.676000e+08 1.450 2.780 ! Reaction index: Chemkin #1416; RMG #216 ! Library reaction: FFCM1(-) ! Flux pairs: CH2CO(45), HCCO(37); O(6), OH(3); O(6)+CH2CO(45)=OH(3)+HCCO(37) 1.000000e+13 0.000 10.300 ! Reaction index: Chemkin #1417; RMG #217 ! Library reaction: FFCM1(-) ! Flux pairs: CH2CO(45), CO2(31); O(6), CH2(T)(35); O(6)+CH2CO(45)=CO2(31)+CH2(T)(35) 1.080000e+12 0.000 1.351 ! Reaction index: Chemkin #1418; RMG #218 ! Library reaction: FFCM1(-) ! Flux pairs: CH2CO(45), HCO(32); O(6), HCO(32); O(6)+CH2CO(45)=HCO(32)+HCO(32) 3.610000e+11 0.000 1.351 ! Reaction index: Chemkin #1419; RMG #219 ! Library reaction: FFCM1(-) ! Flux pairs: CH2CO(45), CH2O(36); O(6), CO(30); O(6)+CH2CO(45)=CO(30)+CH2O(36) 3.610000e+11 0.000 1.351 ! Reaction index: Chemkin #1420; RMG #220 ! Library reaction: FFCM1(-) ! Flux pairs: CH2CO(45), HCCO(37); OH(3), H2O(8); OH(3)+CH2CO(45)=H2O(8)+HCCO(37) 1.120000e+04 2.740 2.220 ! Reaction index: Chemkin #1421; RMG #221 ! Library reaction: FFCM1(-) ! Flux pairs: CH2CO(45), CO2(31); OH(3), CH3(15); OH(3)+CH2CO(45)=CO2(31)+CH3(15) 6.800000e+11 0.000 -1.013 ! Reaction index: Chemkin #1422; RMG #223 ! Library reaction: FFCM1(-) ! Flux pairs: CH2CO(45), C2H3(46); CH(34), CO(30); CH(34)+CH2CO(45)=CO(30)+C2H3(46) 1.450000e+14 0.000 0.000 ! Reaction index: Chemkin #1423; RMG #227 ! Library reaction: FFCM1(-) ! Flux pairs: C2H3(46), CH2CO(45); O(6), H(5); O(6)+C2H3(46)=H(5)+CH2CO(45) 3.010000e+13 0.000 0.000 ! Reaction index: Chemkin #1424; RMG #826 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: CH2CO(45), C2H4(24); CH2(S)(41), CO(30); CH2(S)(41)+CH2CO(45)=CO(30)+C2H4(24) 1.600000e+14 0.000 0.000 ! Reaction index: Chemkin #1425; RMG #7794 ! Template reaction: H_Abstraction ! Flux pairs: HCCO(37), CH2CO(45); HO2(10), O2(2); ! Estimated using template [X_H;Cd_Cdd_rad/H] for rate rule [Orad_O_H;Cd_Cdd_rad/H] ! Euclidian distance = 2.0 ! family: H_Abstraction HO2(10)+HCCO(37)=O2(2)+CH2CO(45) 2.051684e-02 4.261 19.764 ! Reaction index: Chemkin #1426; RMG #7800 ! Template reaction: H_Abstraction ! Flux pairs: HCCO(37), CH2CO(45); H2O2(11), HO2(10); ! Estimated using template [H2O2;Cd_rad] for rate rule [H2O2;Cd_Cdd_rad/H] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction H2O2(11)+HCCO(37)=HO2(10)+CH2CO(45) 1.322876e+00 3.555 -5.755 ! Reaction index: Chemkin #1427; RMG #7809 ! Template reaction: H_Abstraction ! Flux pairs: HCCO(37), CH2CO(45); NCC(1), C2H6N(14); ! Estimated using template [N3s/H2/NonDeC;Y_rad] for rate rule [N3s/H2/NonDeC;Cd_Cdd_rad/H] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction HCCO(37)+NCC(1)=CH2CO(45)+C2H6N(14) 1.517893e+07 1.828 12.179 ! Reaction index: Chemkin #1428; RMG #7810 ! Template reaction: H_Abstraction ! Flux pairs: HCCO(37), CH2CO(45); NCC(1), C2H6N(13); ! Estimated using template [C_sec;Cd_Cdd_rad/H] for rate rule [C/H2/NonDeN;Cd_Cdd_rad/H] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction HCCO(37)+NCC(1)=CH2CO(45)+C2H6N(13) 9.794309e-03 4.340 9.984 ! Reaction index: Chemkin #1429; RMG #7811 ! Template reaction: H_Abstraction ! Flux pairs: HCCO(37), CH2CO(45); NCC(1), C2H6N(12); ! Estimated using an average for rate rule [C/H3/Cs;Cd_Cdd_rad/H] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction HCCO(37)+NCC(1)=CH2CO(45)+C2H6N(12) 4.950000e-02 4.340 17.000 ! Reaction index: Chemkin #1430; RMG #7825 ! Template reaction: H_Abstraction ! Flux pairs: CH2CO(45), HCCO(37); CH2(T)(35), CH3(15); ! Estimated using template [Cd_Cdd/H2;Y_rad_birad_trirad_quadrad] for rate rule [Cd_Cdd/H2;CH2_triplet] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction CH2(T)(35)+CH2CO(45)=CH3(15)+HCCO(37) 8.552260e+00 3.738 6.479 ! Reaction index: Chemkin #1431; RMG #7829 ! Template reaction: Disproportionation ! Flux pairs: CH2NH2(26), CH2NH(25); HCCO(37), CH2CO(45); ! Estimated using template [Y_rad;N3s/H2_s_Cssrad] for rate rule [Cd_pri_rad;N3s/H2_s_Cssrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation CH2NH2(26)+HCCO(37)=CH2NH(25)+CH2CO(45) 3.200000e+06 1.870 -0.630 ! Reaction index: Chemkin #1432; RMG #7843 ! Template reaction: H_Abstraction ! Flux pairs: CH2CO(45), HCCO(37); C2H3(46), C2H4(24); ! From training reaction 1790 used for Cd_Cdd/H2;Cd_Cd\H2_pri_rad ! Exact match found for rate rule [Cd_Cdd/H2;Cd_Cd\H2_pri_rad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction CH2CO(45)+C2H3(46)=HCCO(37)+C2H4(24) 8.340000e-02 4.340 1.000 ! Reaction index: Chemkin #1433; RMG #7857 ! Template reaction: H_Abstraction ! Flux pairs: HCCO(37), CH2CO(45); CH2NH(25), H2CN(68); ! Estimated using template [N3d/H/NonDeC;Y_rad] for rate rule [N3d/H/NonDeC;Cd_Cdd_rad/H] ! Euclidian distance = 3.0 ! family: H_Abstraction CH2NH(25)+HCCO(37)=H2CN(68)+CH2CO(45) 1.200000e+06 2.000 -0.090 ! Reaction index: Chemkin #1434; RMG #7858 ! Template reaction: H_Abstraction ! Flux pairs: HCCO(37), CH2CO(45); CH2NH(25), HCNH(69); ! Estimated using template [Cd_pri;Cd_Cdd_rad/H] for rate rule [Cd/H2/NonDeN;Cd_Cdd_rad/H] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction CH2NH(25)+HCCO(37)=HCNH(69)+CH2CO(45) 5.260000e-02 4.340 22.200 ! Reaction index: Chemkin #1435; RMG #7863 ! Template reaction: Disproportionation ! Flux pairs: C2H6N(13), C2H5N(20); HCCO(37), CH2CO(45); ! Estimated using template [Y_rad;N3s/H2_s_Cssrad] for rate rule [Cd_pri_rad;N3s/H2_s_Cssrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation HCCO(37)+C2H6N(13)=CH2CO(45)+C2H5N(20) 3.200000e+06 1.870 -0.630 ! Reaction index: Chemkin #1436; RMG #7864 ! Template reaction: Disproportionation ! Flux pairs: C2H6N(13), C2H5N(23); HCCO(37), CH2CO(45); ! From training reaction 11 used for Cd_pri_rad;Cmethyl_Csrad ! Exact match found for rate rule [Cd_pri_rad;Cmethyl_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation HCCO(37)+C2H6N(13)=CH2CO(45)+C2H5N(23) 4.560000e+14 -0.700 0.000 ! Reaction index: Chemkin #1437; RMG #7887 ! Template reaction: H_Abstraction ! Flux pairs: HCCO(37), CH2CO(45); C2H5N(23), C2H4N(21); ! Estimated using template [N3s/H2/OneDe;Y_rad] for rate rule [N3s/H2/OneDe;Cd_Cdd_rad/H] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction HCCO(37)+C2H5N(23)=CH2CO(45)+C2H4N(21) 4.985154e+06 2.000 6.338 ! Reaction index: Chemkin #1438; RMG #7888 ! Template reaction: H_Abstraction ! Flux pairs: CH2CO(45), HCCO(37); C2H4N(150), C2H5N(23); ! Estimated using template [Cd_Cdd/H2;Cd_sec_rad] for rate rule [Cd_Cdd/H2;Cd_rad/NonDeN] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction CH2CO(45)+C2H4N(150)=HCCO(37)+C2H5N(23) 4.141035e-02 4.340 2.622 ! Reaction index: Chemkin #1439; RMG #7889 ! Template reaction: H_Abstraction ! Flux pairs: HCCO(37), CH2CO(45); C2H5N(23), C2H4N(151); ! From training reaction 1586 used for Cd/H2/NonDeC;Cd_Cdd_rad/H ! Exact match found for rate rule [Cd/H2/NonDeC;Cd_Cdd_rad/H] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction HCCO(37)+C2H5N(23)=CH2CO(45)+C2H4N(151) 5.260000e-02 4.340 22.200 ! Reaction index: Chemkin #1440; RMG #7896 ! Template reaction: Disproportionation ! Flux pairs: C2H6N(12), C2H5N(23); HCCO(37), CH2CO(45); ! Estimated using an average for rate rule [Cd_pri_rad;Cpri_Rrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation HCCO(37)+C2H6N(12)=CH2CO(45)+C2H5N(23) 2.420000e+12 0.000 0.000 ! Reaction index: Chemkin #1441; RMG #7912 ! Template reaction: Disproportionation ! Flux pairs: C2H6N(14), C2H5N(20); HCCO(37), CH2CO(45); ! Estimated using template [Cd_pri_rad;C/H2/Nd_Rrad] for rate rule [Cd_pri_rad;C/H2/Nd_Nrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation HCCO(37)+C2H6N(14)=CH2CO(45)+C2H5N(20) 2.420000e+12 0.000 0.000 ! Reaction index: Chemkin #1442; RMG #7930 ! Template reaction: H_Abstraction ! Flux pairs: CH2CO(45), HCCO(37); CH3(15), CH4(16); ! From training reaction 251 used for Cd_Cdd/H2;C_methyl ! Exact match found for rate rule [Cd_Cdd/H2;C_methyl] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction CH3(15)+CH2CO(45)=CH4(16)+HCCO(37) 1.426000e+01 3.317 6.610 ! Reaction index: Chemkin #1443; RMG #7937 ! Template reaction: H_Abstraction ! Flux pairs: HCCO(37), CH2CO(45); CH2O(36), HCO(32); ! Estimated using average of templates [X_H;Cd_Cdd_rad/H] + [CO_pri;Cd_rad] for rate rule [CO_pri;Cd_Cdd_rad/H] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction CH2O(36)+HCCO(37)=HCO(32)+CH2CO(45) 1.491317e+01 3.535 12.812 ! Reaction index: Chemkin #1444; RMG #7940 ! Template reaction: Disproportionation ! Flux pairs: C2H4N(21), CH2CNH(27); HCCO(37), CH2CO(45); ! From training reaction 51 used for Cd_pri_rad;Cdpri_Csrad ! Exact match found for rate rule [Cd_pri_rad;Cdpri_Csrad] ! Euclidian distance = 0 ! family: Disproportionation HCCO(37)+C2H4N(21)=CH2CO(45)+CH2CNH(27) 2.410000e+12 0.000 6.000 ! Reaction index: Chemkin #1445; RMG #7950 ! Template reaction: H_Abstraction ! Flux pairs: HCCO(37), CH2CO(45); C2H4N(21), C2H3N(165); ! Estimated using average of templates [X_H;Cd_Cdd_rad/H] + [N3d/H/NonDe;Y_rad] for rate rule [N3d/H/NonDe;Cd_Cdd_rad/H] ! Euclidian distance = 3.0 ! family: H_Abstraction HCCO(37)+C2H4N(21)=CH2CO(45)+C2H3N(165) 3.581114e+02 3.052 11.216 ! Reaction index: Chemkin #1446; RMG #7960 ! Template reaction: Disproportionation ! Flux pairs: CH3CHN(22), CH3CN(29); HCCO(37), CH2CO(45); ! Estimated using template [Y_rad;CH_d_Rrad] for rate rule [Cd_pri_rad;Cds/H/NonDe_d_Rrad] ! Euclidian distance = 2.8284271247461903 ! family: Disproportionation HCCO(37)+CH3CHN(22)=CH2CO(45)+CH3CN(29) 4.301018e+06 1.908 -1.134 ! Reaction index: Chemkin #1447; RMG #7966 ! Template reaction: H_Abstraction ! Flux pairs: HCCO(37), CH2CO(45); CH3CHN(22), C2H3N(165); ! Estimated using an average for rate rule [C/H3/OneDe;Cd_Cdd_rad/H] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction HCCO(37)+CH3CHN(22)=CH2CO(45)+C2H3N(165) 6.190983e-03 4.340 12.100 ! Reaction index: Chemkin #1448; RMG #7976 ! Template reaction: H_Abstraction ! Flux pairs: CH2CO(45), HCCO(37); CN(77), HCN(28); ! Estimated using template [Cd_Cdd/H2;Y_rad] for rate rule [Cd_Cdd/H2;Ct_rad/N] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction CN(77)+CH2CO(45)=HCN(28)+HCCO(37) 8.552260e+00 3.738 6.479 ! Reaction index: Chemkin #1449; RMG #7986 ! Template reaction: H_Abstraction ! Flux pairs: HCCO(37), CH2CO(45); CH2CNH(27), CH2CN(124); ! Estimated using average of templates [X_H;Cd_Cdd_rad/H] + [N3d/H/OneDe;Y_rad] for rate rule [N3d/H/OneDe;Cd_Cdd_rad/H] ! Euclidian distance = 3.0 ! family: H_Abstraction HCCO(37)+CH2CNH(27)=CH2CO(45)+CH2CN(124) 1.420577e+04 2.427 16.270 ! Reaction index: Chemkin #1450; RMG #7992 ! Template reaction: Disproportionation ! Flux pairs: C2H3N(165), CH2CN(124); HCCO(37), CH2CO(45); ! Estimated using average of templates [Y_rad;CH_d_Rrad] + [Cd_pri_rad;XH_Rrad] for rate rule [Cd_pri_rad;CH_d_Rrad] ! Euclidian distance = 2.0 ! family: Disproportionation HCCO(37)+C2H3N(165)=CH2CO(45)+CH2CN(124) 5.270959e+09 0.884 0.033 ! Reaction index: Chemkin #1451; RMG #8008 ! Template reaction: Disproportionation ! Flux pairs: HCNH(69), HCN(28); HCCO(37), CH2CO(45); ! Estimated using template [Y_rad;N3d/H_d_Crad] for rate rule [Cd_pri_rad;N3d/H_d_Crad] ! Euclidian distance = 2.0 ! family: Disproportionation HCNH(69)+HCCO(37)=HCN(28)+CH2CO(45) 8.200000e+05 1.870 -1.110 ! Reaction index: Chemkin #1452; RMG #8028 ! Template reaction: H_Abstraction ! Flux pairs: HCCO(37), CH2CO(45); C2H5N(20), CH3CHN(22); ! Estimated using template [N3d/H/NonDeC;Y_rad] for rate rule [N3d/H/NonDeC;Cd_Cdd_rad/H] ! Euclidian distance = 3.0 ! family: H_Abstraction HCCO(37)+C2H5N(20)=CH2CO(45)+CH3CHN(22) 1.200000e+06 2.000 -0.090 ! Reaction index: Chemkin #1453; RMG #8029 ! Template reaction: H_Abstraction ! Flux pairs: HCCO(37), CH2CO(45); C2H5N(20), C2H4N(21); ! Estimated using an average for rate rule [C/H3/OneDe;Cd_Cdd_rad/H] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction HCCO(37)+C2H5N(20)=CH2CO(45)+C2H4N(21) 6.190983e-03 4.340 12.100 ! Reaction index: Chemkin #1454; RMG #8040 ! Template reaction: H_Abstraction ! Flux pairs: HCCO(37), CH2CO(45); C2H6(47), C2H5(48); ! From training reaction 889 used for C/H3/Cs\H3;Cd_Cdd_rad/H ! Exact match found for rate rule [C/H3/Cs\H3;Cd_Cdd_rad/H] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 6.0 ! family: H_Abstraction HCCO(37)+C2H6(47)=CH2CO(45)+C2H5(48) 9.900000e-02 4.340 17.000 ! Reaction index: Chemkin #1455; RMG #8043 ! Template reaction: Disproportionation ! Flux pairs: C2H4N(164), C2H3N(178); HCCO(37), CH2CO(45); ! Estimated using template [Y_rad;N3H_s_Rrad] for rate rule [Cd_pri_rad;N3s/H/NonDe_s_Rrad] ! Euclidian distance = 2.23606797749979 ! family: Disproportionation HCCO(37)+C2H4N(164)=CH2CO(45)+C2H3N(178) 4.195969e+06 1.909 -0.511 ! Reaction index: Chemkin #1456; RMG #8059 ! Template reaction: CO_Disproportionation ! Flux pairs: HCO(32), CO(30); HCCO(37), CH2CO(45); ! From training reaction 6 used for Cd_pri_rad;HCO ! Exact match found for rate rule [Cd_pri_rad;HCO] ! Euclidian distance = 0 ! family: CO_Disproportionation HCO(32)+HCCO(37)=CO(30)+CH2CO(45) 9.033000e+13 0.000 0.000 ! Reaction index: Chemkin #1457; RMG #8068 ! Template reaction: Disproportionation ! Flux pairs: H2CN(68), HCN(28); HCCO(37), CH2CO(45); ! Estimated using template [Y_rad;Cds/H2_d_N3rad] for rate rule [Cd_pri_rad;Cds/H2_d_N3rad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation H2CN(68)+HCCO(37)=HCN(28)+CH2CO(45) 1.620000e+06 1.870 -1.110 ! Reaction index: Chemkin #1458; RMG #8083 ! Template reaction: H_Abstraction ! Flux pairs: HCCO(37), CH2CO(45); CH2(S)(41), CH(34); ! Estimated using template [X_H_or_Xrad_H_Xbirad_H_Xtrirad_H;Cd_Cdd_rad/H] for rate rule [CH2_singlet_H;Cd_Cdd_rad/H] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction CH2(S)(41)+HCCO(37)=CH(34)+CH2CO(45) 4.103367e-02 4.261 19.764 ! Reaction index: Chemkin #1459; RMG #8102 ! Template reaction: H_Abstraction ! Flux pairs: HCCO(37), CH2CO(45); CH3CN(29), CH2CN(124); ! From training reaction 1245 used for C/H3/Ct;Cd_Cdd_rad/H ! Exact match found for rate rule [C/H3/Ct;Cd_Cdd_rad/H] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction HCCO(37)+CH3CN(29)=CH2CO(45)+CH2CN(124) 1.530000e-02 4.340 11.500 ! Reaction index: Chemkin #1460; RMG #8122 ! Template reaction: Disproportionation ! Flux pairs: C2H4N(150), CH2CNH(27); HCCO(37), CH2CO(45); ! Estimated using template [Y_rad;N3s/H2_s_Crad] for rate rule [Cd_pri_rad;N3s/H2_s_Cdsrad] ! Euclidian distance = 2.23606797749979 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation HCCO(37)+C2H4N(150)=CH2CO(45)+CH2CNH(27) 2.307599e+07 1.790 -0.903 ! Reaction index: Chemkin #1461; RMG #8134 ! Template reaction: Disproportionation ! Flux pairs: C2H5(48), C2H4(24); HCCO(37), CH2CO(45); ! From training reaction 11 used for Cd_pri_rad;Cmethyl_Csrad ! Exact match found for rate rule [Cd_pri_rad;Cmethyl_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation HCCO(37)+C2H5(48)=CH2CO(45)+C2H4(24) 4.560000e+14 -0.700 0.000 ! Reaction index: Chemkin #1462; RMG #8157 ! Template reaction: H_Abstraction ! Flux pairs: HCCO(37), CH2CO(45); NH(T)(59), N(53); ! Estimated using template [X_H_or_Xrad_H_Xbirad_H_Xtrirad_H;Cd_Cdd_rad/H] for rate rule [NH_triplet_H;Cd_Cdd_rad/H] ! Euclidian distance = 2.0 ! family: H_Abstraction NH(T)(59)+HCCO(37)=N(53)+CH2CO(45) 2.051684e-02 4.261 19.764 ! Reaction index: Chemkin #1463; RMG #8173 ! Template reaction: Disproportionation ! Flux pairs: C2H3(46), C2H2(39); HCCO(37), CH2CO(45); ! Estimated using template [Y_rad;Cds/H2_d_Rrad] for rate rule [Cd_pri_rad;Cds/H2_d_Crad] ! Euclidian distance = 2.23606797749979 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation HCCO(37)+C2H3(46)=C2H2(39)+CH2CO(45) 8.204641e+06 1.877 -1.115 ! Reaction index: Chemkin #1464; RMG #8205 ! Template reaction: H_Abstraction ! Flux pairs: CH2CO(45), HCCO(37); NCO(76), HNCO(74); ! Estimated using template [X_H;N3d_rad/OneDeCdd_O] for rate rule [Cd_Cdd/H2;N3d_rad/OneDeCdd_O] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction NCO(76)+CH2CO(45)=HNCO(74)+HCCO(37) 1.186031e+07 1.827 6.480 ! Reaction index: Chemkin #1465; RMG #8219 ! Template reaction: H_Abstraction ! Flux pairs: HCCO(37), CH2CO(45); C2H5N(196), C2H4N(164); ! Estimated using template [C_sec;Cd_Cdd_rad/H] for rate rule [C/H2/NonDeN;Cd_Cdd_rad/H] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 4.0 ! family: H_Abstraction HCCO(37)+C2H5N(196)=CH2CO(45)+C2H4N(164) 1.958862e-02 4.340 9.984 ! Reaction index: Chemkin #1466; RMG #9066 ! Template reaction: Disproportionation ! Flux pairs: CHNO(171), NCO(76); HCCO(37), CH2CO(45); ! Estimated using template [Cd_pri_rad;Cdpri_Rrad] for rate rule [Cd_pri_rad;Cdpri_Orad] ! Euclidian distance = 1.0 ! family: Disproportionation CHNO(171)+HCCO(37)=NCO(76)+CH2CO(45) 2.410000e+12 0.000 6.000 ! Reaction index: Chemkin #1467; RMG #9320 ! Template reaction: H_Abstraction ! Flux pairs: HCCO(37), CH2CO(45); HNO(62), NO(54); ! Estimated using template [N3d/H/NonDeO;Y_rad] for rate rule [N3d/H/NonDeO;Cd_Cdd_rad/H] ! Euclidian distance = 3.0 ! family: H_Abstraction HNO(62)+HCCO(37)=NO(54)+CH2CO(45) 1.300000e+07 1.880 -0.950 ! Reaction index: Chemkin #1468; RMG #9966 ! PDep reaction: PDepNetwork #243 ! Flux pairs: H(5), CH2CO(45); HCCO(37), CH2CO(45); H(5)+HCCO(37)(+M)=CH2CO(45)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.328e+01 3.369e-01 -6.317e-03 -3.021e-03 / CHEB/ -6.342e-01 1.702e-01 -2.175e-02 7.135e-03 / CHEB/ -3.741e-01 9.454e-02 -1.046e-02 -2.627e-03 / CHEB/ -2.007e-01 4.309e-02 2.582e-03 -2.312e-03 / CHEB/ -8.782e-02 1.528e-02 3.685e-03 -3.180e-04 / CHEB/ -2.598e-02 3.055e-03 1.437e-03 3.939e-04 / ! Reaction index: Chemkin #1469; RMG #9980 ! PDep reaction: PDepNetwork #99 ! Flux pairs: O(6), CH2CO(45); C2H2(39), CH2CO(45); O(6)+C2H2(39)(+M)=CH2CO(45)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 8.069e+00 9.595e-01 -1.697e-02 -4.409e-03 / CHEB/ 9.432e-01 3.407e-02 1.330e-02 2.843e-03 / CHEB/ -2.432e-01 -5.623e-04 3.783e-04 4.692e-04 / CHEB/ -1.386e-01 -4.701e-04 -2.019e-04 -4.006e-05 / CHEB/ -6.408e-02 2.072e-04 8.942e-05 2.453e-05 / CHEB/ -1.766e-02 5.804e-04 2.462e-04 6.563e-05 / ! Reaction index: Chemkin #1470; RMG #10478 ! Template reaction: Disproportionation ! Flux pairs: C2H2O(206), HCCO(37); HCCO(37), CH2CO(45); ! Estimated using template [Cd_pri_rad;Cdpri_Rrad] for rate rule [Cd_pri_rad;Cdpri_Orad] ! Euclidian distance = 1.0 ! family: Disproportionation HCCO(37)+C2H2O(206)=HCCO(37)+CH2CO(45) 2.410000e+12 0.000 6.000 ! Reaction index: Chemkin #1471; RMG #10563 ! PDep reaction: PDepNetwork #288 ! Flux pairs: C2H2O(206), CH2CO(45); C2H2O(206)(+M)=CH2CO(45)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 8.141e+00 9.821e-01 -9.204e-03 -3.265e-03 / CHEB/ 1.216e+00 3.347e-02 1.304e-02 3.138e-03 / CHEB/ -8.604e-02 3.292e-04 -9.610e-04 -6.554e-04 / CHEB/ -7.596e-02 7.230e-03 2.195e-03 2.435e-04 / CHEB/ -7.139e-02 4.584e-03 1.482e-03 2.463e-04 / CHEB/ -4.048e-02 6.098e-04 1.489e-05 -5.177e-05 / ! Reaction index: Chemkin #1472; RMG #9979 ! PDep reaction: PDepNetwork #99 ! Flux pairs: O(6), C2H2O(320); C2H2(39), C2H2O(320); O(6)+C2H2(39)(+M)=C2H2O(320)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 6.999e+00 9.629e-01 -1.548e-02 -3.980e-03 / CHEB/ 1.334e+00 3.384e-02 1.327e-02 2.867e-03 / CHEB/ -1.167e-01 -5.941e-04 3.836e-04 4.860e-04 / CHEB/ -5.646e-02 -5.456e-04 -2.378e-04 -5.171e-05 / CHEB/ -1.774e-02 1.222e-04 4.915e-05 1.088e-05 / CHEB/ -1.190e-02 4.318e-04 1.795e-04 4.521e-05 / ! Reaction index: Chemkin #1473; RMG #9987 ! PDep reaction: PDepNetwork #242 ! Flux pairs: H(5), C2H2O(320); HCCO(37), C2H2O(320); H(5)+HCCO(37)(+M)=C2H2O(320)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.127e+01 3.867e-01 -8.419e-03 -3.143e-03 / CHEB/ -1.525e-01 2.413e-01 -2.157e-02 6.146e-03 / CHEB/ -2.369e-01 1.245e-01 -6.885e-03 -3.505e-03 / CHEB/ -1.251e-01 4.933e-02 5.799e-03 -2.180e-03 / CHEB/ -4.614e-02 1.370e-02 4.942e-03 1.744e-04 / CHEB/ -2.157e-02 7.043e-04 1.475e-03 6.571e-04 / ! Reaction index: Chemkin #1474; RMG #11101 ! PDep reaction: PDepNetwork #297 ! Flux pairs: C2H2O(320), C2H2O(206); C2H2O(320)(+M)=C2H2O(206)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 8.263e+00 1.124e+00 3.170e-02 4.598e-03 / CHEB/ 4.137e-01 -2.966e-02 -2.188e-02 -6.293e-03 / CHEB/ 2.378e-01 3.230e-02 3.225e-03 8.324e-04 / CHEB/ -2.525e-03 2.142e-02 1.691e-03 1.105e-03 / CHEB/ -6.133e-02 1.122e-02 -2.207e-04 4.000e-04 / CHEB/ -5.068e-02 5.114e-03 -5.515e-04 1.120e-04 / ! Reaction index: Chemkin #1475; RMG #11115 ! PDep reaction: PDepNetwork #297 ! Flux pairs: C2H2O(320), CH2CO(45); C2H2O(320)(+M)=CH2CO(45)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 9.559e+00 1.049e+00 4.926e-03 -2.411e-03 / CHEB/ -4.660e-01 2.703e-02 8.023e-03 1.299e-03 / CHEB/ -2.083e-01 1.476e-02 2.140e-03 9.464e-04 / CHEB/ -1.419e-01 1.042e-02 5.429e-04 3.994e-04 / CHEB/ -6.501e-02 5.993e-03 -1.255e-04 2.109e-04 / CHEB/ -1.356e-02 2.468e-03 -3.191e-04 1.738e-04 / ! Reaction index: Chemkin #1476; RMG #11587 ! PDep reaction: PDepNetwork #300 ! Flux pairs: C2H2O(192), CO(30); H(5), CH3(15); H(5)+C2H2O(192)(+M)=CO(30)+CH3(15)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.218e+01 -6.012e-05 -2.883e-05 -1.002e-05 / CHEB/ -1.172e+00 5.087e-05 2.440e-05 8.480e-06 / CHEB/ -2.932e-01 -7.914e-06 -3.795e-06 -1.319e-06 / CHEB/ -9.774e-02 -5.166e-06 -2.478e-06 -8.614e-07 / CHEB/ -3.670e-02 -2.068e-06 -9.920e-07 -3.449e-07 / CHEB/ -1.476e-02 -5.409e-07 -2.594e-07 -9.019e-08 / ! Reaction index: Chemkin #1477; RMG #7788 ! Template reaction: Disproportionation ! Flux pairs: H(5), H2(7); C2H2O(192), HCCO(37); ! Estimated using template [H_rad;Cds/H2_d_Rrad] for rate rule [H_rad;Cds/H2_d_Crad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation H(5)+C2H2O(192)=H2(7)+HCCO(37) 6.788225e+08 1.500 -0.890 ! Reaction index: Chemkin #1478; RMG #7791 ! Template reaction: Disproportionation ! Flux pairs: OH(3), H2O(8); C2H2O(192), HCCO(37); ! Estimated using template [O_pri_rad;Cds/H2_d_Rrad] for rate rule [O_pri_rad;Cds/H2_d_Crad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation OH(3)+C2H2O(192)=H2O(8)+HCCO(37) 3.394113e+06 2.000 -1.190 ! Reaction index: Chemkin #1479; RMG #7796 ! Template reaction: Disproportionation ! Flux pairs: O2(2), HO2(10); C2H2O(192), HCCO(37); ! From training reaction 1 used for O2b;Cds/H2_d_Crad ! Exact match found for rate rule [O2b;Cds/H2_d_Crad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 4.0 ! family: Disproportionation O2(2)+C2H2O(192)=HO2(10)+HCCO(37) 1.040000e+16 -1.260 4.499 ! Reaction index: Chemkin #1480; RMG #7801 ! Template reaction: Disproportionation ! Flux pairs: HO2(10), H2O2(11); C2H2O(192), HCCO(37); ! Estimated using template [O_rad/NonDeO;Cds/H2_d_Rrad] for rate rule [O_rad/NonDeO;Cds/H2_d_Crad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation HO2(10)+C2H2O(192)=H2O2(11)+HCCO(37) 2.800000e+04 2.690 -1.610 ! Reaction index: Chemkin #1481; RMG #7812 ! Template reaction: Disproportionation ! Flux pairs: C2H6N(13), NCC(1); C2H2O(192), HCCO(37); ! Estimated using template [Y_rad;Cds/H2_d_Rrad] for rate rule [C_rad/H/NonDeN;Cds/H2_d_Crad] ! Euclidian distance = 3.1622776601683795 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H2O(192)+C2H6N(13)=HCCO(37)+NCC(1) 8.204641e+06 1.877 -1.115 ! Reaction index: Chemkin #1482; RMG #7813 ! Template reaction: Disproportionation ! Estimated using template [Y_rad;Cds/H2_d_Rrad] for rate rule [C_rad/H2/Cs;Cds/H2_d_Crad] ! Euclidian distance = 3.1622776601683795 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H2O(192)+C2H6N(12)=HCCO(37)+NCC(1) 8.204641e+06 1.877 -1.115 ! Reaction index: Chemkin #1483; RMG #7814 ! Template reaction: Disproportionation ! Estimated using template [N3s_rad;Cds/H2_d_Rrad] for rate rule [N3s_rad/H/NonDeC;Cds/H2_d_Crad] ! Euclidian distance = 3.1622776601683795 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H2O(192)+C2H6N(14)=HCCO(37)+NCC(1) 2.573713e+06 1.940 -1.150 ! Reaction index: Chemkin #1484; RMG #7822 ! Template reaction: Disproportionation ! Flux pairs: O(6), OH(3); C2H2O(192), HCCO(37); ! Estimated using template [O_atom_triplet;Cds/H2_d_Rrad] for rate rule [O_atom_triplet;Cds/H2_d_Crad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation O(6)+C2H2O(192)=OH(3)+HCCO(37) 3.400000e+08 1.500 -0.890 ! Reaction index: Chemkin #1485; RMG #7827 ! Template reaction: Disproportionation ! Flux pairs: CH2(T)(35), CH3(15); C2H2O(192), HCCO(37); ! Estimated using template [Y_1centerbirad;Cds/H2_d_Rrad] for rate rule [CH2_triplet;Cds/H2_d_Crad] ! Euclidian distance = 1.4142135623730951 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation CH2(T)(35)+C2H2O(192)=CH3(15)+HCCO(37) 3.400000e+08 1.500 -0.890 ! Reaction index: Chemkin #1486; RMG #7844 ! Template reaction: Disproportionation ! Flux pairs: C2H3(46), HCCO(37); C2H2O(192), C2H4(24); ! Estimated using template [Y_rad;Cds/H2_d_Rrad] for rate rule [Cd_pri_rad;Cds/H2_d_Crad] ! Euclidian distance = 2.23606797749979 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H2O(192)+C2H3(46)=HCCO(37)+C2H4(24) 8.204641e+06 1.877 -1.115 ! Reaction index: Chemkin #1487; RMG #7859 ! Template reaction: Disproportionation ! Flux pairs: HCNH(69), HCCO(37); C2H2O(192), CH2NH(25); ! Estimated using average of templates [Y_rad_birad_trirad_quadrad;Cds/H2_d_Crad] + [Y_rad;Cds/H2_d_Rrad] for rate rule [Y_rad;Cds/H2_d_Crad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation HCNH(69)+C2H2O(192)=CH2NH(25)+HCCO(37) 2.065530e+11 0.309 1.097 ! Reaction index: Chemkin #1488; RMG #7860 ! Template reaction: Disproportionation ! Estimated using template [N3_rad;Cds/H2_d_Rrad] for rate rule [N3d_rad/C;Cds/H2_d_Crad] ! Euclidian distance = 2.23606797749979 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation H2CN(68)+C2H2O(192)=CH2NH(25)+HCCO(37) 2.573713e+06 1.940 -1.150 ! Reaction index: Chemkin #1489; RMG #7890 ! Template reaction: Disproportionation ! Flux pairs: C2H4N(150), HCCO(37); C2H2O(192), C2H5N(23); ! Estimated using template [Y_rad;Cds/H2_d_Rrad] for rate rule [Cd_rad/NonDeN;Cds/H2_d_Crad] ! Euclidian distance = 3.1622776601683795 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H2O(192)+C2H4N(150)=HCCO(37)+C2H5N(23) 8.204641e+06 1.877 -1.115 ! Reaction index: Chemkin #1490; RMG #7891 ! Template reaction: Disproportionation ! Estimated using template [Y_rad;Cds/H2_d_Rrad] for rate rule [Cd_pri_rad;Cds/H2_d_Crad] ! Euclidian distance = 2.23606797749979 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H2O(192)+C2H4N(151)=HCCO(37)+C2H5N(23) 8.204641e+06 1.877 -1.115 ! Reaction index: Chemkin #1491; RMG #7892 ! Template reaction: Disproportionation ! Estimated using template [N3s_rad;Cds/H2_d_Rrad] for rate rule [N3s_rad/H/OneDe;Cds/H2_d_Crad] ! Euclidian distance = 2.23606797749979 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H2O(192)+C2H4N(21)=HCCO(37)+C2H5N(23) 2.573713e+06 1.940 -1.150 ! Reaction index: Chemkin #1492; RMG #7931 ! Template reaction: Disproportionation ! Flux pairs: CH3(15), CH4(16); C2H2O(192), HCCO(37); ! Estimated using template [Y_rad;Cds/H2_d_Rrad] for rate rule [C_methyl;Cds/H2_d_Crad] ! Euclidian distance = 2.23606797749979 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation CH3(15)+C2H2O(192)=CH4(16)+HCCO(37) 8.204641e+06 1.877 -1.115 ! Reaction index: Chemkin #1493; RMG #7938 ! Template reaction: Disproportionation ! Flux pairs: HCO(32), HCCO(37); C2H2O(192), CH2O(36); ! Estimated using template [Y_rad;Cds/H2_d_Rrad] for rate rule [CO_pri_rad;Cds/H2_d_Crad] ! Euclidian distance = 2.23606797749979 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation HCO(32)+C2H2O(192)=CH2O(36)+HCCO(37) 8.204641e+06 1.877 -1.115 ! Reaction index: Chemkin #1494; RMG #7955 ! Template reaction: Disproportionation ! Estimated using template [N3_rad;Cds/H2_d_Rrad] for rate rule [N3d_rad/C;Cds/H2_d_Crad] ! Euclidian distance = 2.23606797749979 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H2O(192)+C2H3N(165)=HCCO(37)+C2H4N(21) 2.573713e+06 1.940 -1.150 ! Reaction index: Chemkin #1495; RMG #7969 ! Template reaction: Disproportionation ! Flux pairs: C2H3N(165), HCCO(37); C2H2O(192), CH3CHN(22); ! Estimated using template [Y_rad;Cds/H2_d_Rrad] for rate rule [C_rad/H2/Cd;Cds/H2_d_Crad] ! Euclidian distance = 3.1622776601683795 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H2O(192)+C2H3N(165)=HCCO(37)+CH3CHN(22) 8.204641e+06 1.877 -1.115 ! Reaction index: Chemkin #1496; RMG #7977 ! Template reaction: Disproportionation ! Flux pairs: CN(77), HCCO(37); C2H2O(192), HCN(28); ! Estimated using template [Y_rad;Cds/H2_d_Rrad] for rate rule [Ct_rad/Nt;Cds/H2_d_Crad] ! Euclidian distance = 2.23606797749979 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation CN(77)+C2H2O(192)=HCN(28)+HCCO(37) 8.204641e+06 1.877 -1.115 ! Reaction index: Chemkin #1497; RMG #7989 ! Template reaction: Disproportionation ! Estimated using template [N3_rad;Cds/H2_d_Rrad] for rate rule [N3d_rad/C;Cds/H2_d_Crad] ! Euclidian distance = 2.23606797749979 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H2O(192)+CH2CN(124)=HCCO(37)+CH2CNH(27) 2.573713e+06 1.940 -1.150 ! Reaction index: Chemkin #1498; RMG #8031 ! Template reaction: Disproportionation ! Flux pairs: C2H4N(21), HCCO(37); C2H2O(192), C2H5N(20); ! Estimated using template [Y_rad;Cds/H2_d_Rrad] for rate rule [C_rad/H2/Cd;Cds/H2_d_Crad] ! Euclidian distance = 3.1622776601683795 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H2O(192)+C2H4N(21)=HCCO(37)+C2H5N(20) 8.204641e+06 1.877 -1.115 ! Reaction index: Chemkin #1499; RMG #8033 ! Template reaction: Disproportionation ! Estimated using template [N3_rad;Cds/H2_d_Rrad] for rate rule [N3d_rad/C;Cds/H2_d_Crad] ! Euclidian distance = 2.23606797749979 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H2O(192)+CH3CHN(22)=HCCO(37)+C2H5N(20) 2.573713e+06 1.940 -1.150 ! Reaction index: Chemkin #1500; RMG #8041 ! Template reaction: Disproportionation ! Flux pairs: C2H5(48), C2H6(47); C2H2O(192), HCCO(37); ! Estimated using template [Y_rad;Cds/H2_d_Rrad] for rate rule [C_rad/H2/Cs;Cds/H2_d_Crad] ! Euclidian distance = 3.1622776601683795 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H2O(192)+C2H5(48)=HCCO(37)+C2H6(47) 8.204641e+06 1.877 -1.115 ! Reaction index: Chemkin #1501; RMG #8084 ! Template reaction: Disproportionation ! Flux pairs: CH(34), CH2(S)(41); C2H2O(192), HCCO(37); ! Estimated using template [Y_rad_birad_trirad_quadrad;Cds/H2_d_Crad] for rate rule [CH_doublet;Cds/H2_d_Crad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation CH(34)+C2H2O(192)=CH2(S)(41)+HCCO(37) 5.200000e+15 -1.260 3.310 ! Reaction index: Chemkin #1502; RMG #8103 ! Template reaction: Disproportionation ! Flux pairs: CH2CN(124), HCCO(37); C2H2O(192), CH3CN(29); ! Estimated using template [Y_rad;Cds/H2_d_Rrad] for rate rule [C_rad/H2/Ct;Cds/H2_d_Crad] ! Euclidian distance = 3.1622776601683795 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H2O(192)+CH2CN(124)=HCCO(37)+CH3CN(29) 8.204641e+06 1.877 -1.115 ! Reaction index: Chemkin #1503; RMG #8159 ! Template reaction: Disproportionation ! Flux pairs: N(53), NH(T)(59); C2H2O(192), HCCO(37); ! Estimated using template [Y_rad_birad_trirad_quadrad;Cds/H2_d_Crad] for rate rule [N_atom_quartet;Cds/H2_d_Crad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation N(53)+C2H2O(192)=NH(T)(59)+HCCO(37) 5.200000e+15 -1.260 3.310 ! Reaction index: Chemkin #1504; RMG #8206 ! Template reaction: Disproportionation ! Flux pairs: NCO(76), HCCO(37); C2H2O(192), HNCO(74); ! Estimated using template [N3_rad;Cds/H2_d_Rrad] for rate rule [N3d_rad/C;Cds/H2_d_Crad] ! Euclidian distance = 2.23606797749979 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation NCO(76)+C2H2O(192)=HNCO(74)+HCCO(37) 2.573713e+06 1.940 -1.150 ! Reaction index: Chemkin #1505; RMG #8220 ! Template reaction: Disproportionation ! Flux pairs: C2H4N(164), C2H5N(196); C2H2O(192), HCCO(37); ! Estimated using template [Y_rad;Cds/H2_d_Rrad] for rate rule [C_rad/H/NonDeN;Cds/H2_d_Crad] ! Euclidian distance = 3.1622776601683795 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H2O(192)+C2H4N(164)=HCCO(37)+C2H5N(196) 8.204641e+06 1.877 -1.115 ! Reaction index: Chemkin #1506; RMG #9321 ! Template reaction: Disproportionation ! Estimated using template [N3_rad;Cds/H2_d_Rrad] for rate rule [N3d_rad/O;Cds/H2_d_Crad] ! Euclidian distance = 2.23606797749979 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation ! Ea raised from -4.8 to 19.8 kJ/mol to match endothermicity of reaction. NO(54)+C2H2O(192)=HNO(62)+HCCO(37) 2.573713e+06 1.940 4.733 ! Reaction index: Chemkin #1507; RMG #9983 ! PDep reaction: PDepNetwork #99 ! Flux pairs: O(6), C2H2O(192); C2H2(39), C2H2O(192); O(6)+C2H2(39)(+M)=C2H2O(192)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 8.799e+00 9.291e-01 -3.068e-02 -8.638e-03 / CHEB/ 1.018e+00 6.581e-02 2.743e-02 7.054e-03 / CHEB/ -1.759e-01 -2.001e-03 -4.323e-05 4.892e-04 / CHEB/ -6.908e-02 -7.239e-04 -3.426e-04 -9.870e-05 / CHEB/ -2.858e-02 6.722e-05 2.071e-05 -5.898e-07 / CHEB/ -1.653e-02 2.697e-04 1.080e-04 2.440e-05 / ! Reaction index: Chemkin #1508; RMG #9990 ! PDep reaction: PDepNetwork #242 ! Flux pairs: H(5), C2H2O(192); HCCO(37), C2H2O(192); H(5)+HCCO(37)(+M)=C2H2O(192)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.343e+01 4.053e-02 -9.054e-02 -6.604e-03 / CHEB/ -3.179e-01 4.475e-01 3.296e-02 4.307e-03 / CHEB/ -2.640e-01 1.637e-01 1.404e-02 1.080e-03 / CHEB/ -1.357e-01 5.024e-02 7.071e-03 -6.413e-04 / CHEB/ -6.149e-02 8.674e-03 1.914e-03 -1.931e-04 / CHEB/ -2.895e-02 -2.060e-03 -4.946e-04 8.404e-05 / ! Reaction index: Chemkin #1509; RMG #11453 ! PDep reaction: PDepNetwork #299 ! Flux pairs: C2H2O(192), C2H2O(206); C2H2O(192)(+M)=C2H2O(206)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 6.220e+00 5.875e-01 -1.154e-01 -8.384e-03 / CHEB/ 1.834e+00 1.852e-01 2.869e-02 -6.294e-03 / CHEB/ 4.672e-01 3.656e-02 8.889e-03 -8.986e-04 / CHEB/ 1.258e-01 2.049e-02 5.744e-03 6.865e-04 / CHEB/ -2.338e-02 1.043e-02 2.930e-03 6.561e-04 / CHEB/ -5.370e-02 4.422e-03 1.038e-03 3.637e-04 / ! Reaction index: Chemkin #1510; RMG #10833 ! Template reaction: Disproportionation ! Estimated using template [Y_rad;Cds/H2_d_Rrad] for rate rule [Cd_pri_rad;Cds/H2_d_Crad] ! Euclidian distance = 2.23606797749979 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation HCCO(37)+C2H2O(192)=HCCO(37)+CH2CO(45) 8.204641e+06 1.877 -1.115 ! Reaction index: Chemkin #1511; RMG #11452 ! PDep reaction: PDepNetwork #299 ! Flux pairs: C2H2O(192), CH2CO(45); C2H2O(192)(+M)=CH2CO(45)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 9.419e+00 5.938e-01 -1.101e-01 -6.166e-03 / CHEB/ -2.524e-01 1.474e-01 1.573e-02 -9.358e-03 / CHEB/ -9.851e-02 3.102e-02 8.991e-03 -5.286e-04 / CHEB/ -5.544e-02 1.211e-02 3.738e-03 2.152e-04 / CHEB/ -3.358e-02 5.770e-03 1.797e-03 1.960e-04 / CHEB/ -1.968e-02 2.832e-03 9.006e-04 1.458e-04 / ! Reaction index: Chemkin #1512; RMG #11122 ! PDep reaction: PDepNetwork #297 ! Flux pairs: C2H2O(320), C2H2O(192); C2H2O(320)(+M)=C2H2O(192)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 8.765e+00 6.570e-01 -1.025e-01 -7.751e-03 / CHEB/ 6.892e-02 1.980e-01 2.834e-02 -6.294e-03 / CHEB/ 8.762e-03 6.275e-02 1.446e-02 2.005e-03 / CHEB/ -2.570e-02 3.444e-02 6.601e-03 1.771e-03 / CHEB/ -2.092e-02 1.983e-02 3.315e-03 1.112e-03 / CHEB/ -1.755e-02 1.031e-02 1.730e-03 6.760e-04 / ! Reaction index: Chemkin #1513; RMG #11111 ! PDep reaction: PDepNetwork #232 ! Flux pairs: N2O(55), OH(3); H(5), N2(324); N2O(55)+H(5)(+M)=N2(324)+OH(3)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 7.268e+00 -7.753e-05 -3.709e-05 -1.283e-05 / CHEB/ 5.795e+00 -1.190e-04 -5.688e-05 -1.965e-05 / CHEB/ 1.247e-01 -4.026e-05 -1.917e-05 -6.573e-06 / CHEB/ -1.783e-01 2.658e-05 1.283e-05 4.517e-06 / CHEB/ -8.330e-02 5.082e-05 2.441e-05 8.507e-06 / CHEB/ 3.119e-03 3.924e-05 1.882e-05 6.540e-06 / ! Reaction index: Chemkin #1514; RMG #97 ! Library reaction: FFCM1(-) ! Flux pairs: CH2(S)(41), CH2(T)(35); N2(42), N2(42); N2(42)+CH2(S)(41)=N2(42)+CH2(T)(35) 1.200000e+13 0.000 0.471 ! Reaction index: Chemkin #1515; RMG #292 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: O(6), NO(54); N2(42), N(53); O(6)+N2(42)=N(53)+NO(54) 2.000000e+14 0.000 76.774 ! Reaction index: Chemkin #1516; RMG #294 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: N2O(55), O(6); N2O(55), N2(42); N2O(55)+M=O(6)+N2(42)+M 5.700e+14 0.000 56.061 ! Reaction index: Chemkin #1517; RMG #295 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: N2O(55), O2(2); O(6), N2(42); O(6)+N2O(55)=O2(2)+N2(42) 1.400000e+12 0.000 10.803 ! Reaction index: Chemkin #1518; RMG #304 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: N2O(55), OH(3); H(5), N2(42); N2O(55)+H(5)=N2(42)+OH(3) 2.200000e+14 0.000 16.741 ! Reaction index: Chemkin #1519; RMG #307 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: NO(54), OH(3); NH(T)(59), N2(42); NO(54)+NH(T)(59)=N2(42)+OH(3) 1.400000e+17 -1.490 1.311 ! Reaction index: Chemkin #1520; RMG #342 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: CH2(T)(35), HCN(28); N2(42), NH(T)(59); N2(42)+CH2(T)(35)=NH(T)(59)+HCN(28) 1.000000e+13 0.000 73.954 ! Reaction index: Chemkin #1521; RMG #349 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: CH(34), HCN(28); N2(42), N(53); N2(42)+CH(34)=N(53)+HCN(28) 4.400000e+12 0.000 21.964 ! Reaction index: Chemkin #1522; RMG #360 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: NH(T)(59), N2(42); N(53), H(5); N(53)+NH(T)(59)=N2(42)+H(5) 1.500000e+13 0.000 0.000 ! Reaction index: Chemkin #1523; RMG #363 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: NH(T)(59), N2(42); NH(T)(59), H(5); NH(T)(59), H(5); NH(T)(59)+NH(T)(59)=N2(42)+H(5)+H(5) 5.100000e+13 0.000 0.000 ! Reaction index: Chemkin #1524; RMG #432 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: N2O(55), HO2(10); OH(3), N2(42); N2O(55)+OH(3)=N2(42)+HO2(10) 1.300000e-02 4.720 36.540 ! Reaction index: Chemkin #1525; RMG #510 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: H2CN(68), CH2(T)(35); N(53), N2(42); N(53)+H2CN(68)=N2(42)+CH2(T)(35) 6.000000e+13 0.000 0.397 ! Reaction index: Chemkin #1526; RMG #563 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: NCO(76), CO2(31); NO(54), N2(42); NO(54)+NCO(76)=N2(42)+CO2(31) 7.800000e+17 -1.730 0.765 ! Reaction index: Chemkin #1527; RMG #570 ! Library reaction: Nitrogen_Dean_and_Bozzelli ! Flux pairs: NCO(76), CO(30); N(53), N2(42); N(53)+NCO(76)=N2(42)+CO(30) 3.300000e+13 0.000 0.000 ! Reaction index: Chemkin #1528; RMG #720 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: N2(42), N2(42); H(5), H2(7); H(5), H2(7); N2(42)+H(5)+H(5)=N2(42)+H2(7) 5.400000e+18 -1.300 0.000 ! Reaction index: Chemkin #1529; RMG #853 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: NH(S)(56), N2(42); NH(S)(56), H(5); NH(S)(56), H(5); NH(S)(56)+NH(S)(56)=N2(42)+H(5)+H(5) 2.500000e+13 0.000 0.000 ! Reaction index: Chemkin #1530; RMG #854 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: NH(S)(56), N2(42); N(53), H(5); N(53)+NH(S)(56)=N2(42)+H(5) 3.000000e+13 0.000 0.000 ! Reaction index: Chemkin #1531; RMG #856 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: NO(54), OH(3); NH(S)(56), N2(42); NO(54)+NH(S)(56)=N2(42)+OH(3) 2.200000e+13 -0.200 0.000 ! Reaction index: Chemkin #1532; RMG #884 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: N2O(55), NO2(57); NO(54), N2(42); NO(54)+N2O(55)=NO2(57)+N2(42) 5.300000e+05 2.200 46.280 ! Reaction index: Chemkin #1533; RMG #885 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: HCN(28), CN(77); N2(42), H(5); N2(42), N2(42); N2(42)+HCN(28)=N2(42)+H(5)+CN(77) 3.600000e+26 -2.600 124.890 ! Reaction index: Chemkin #1534; RMG #893 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: CN(77), CO2(31); NO2(57), N2(42); NO2(57)+CN(77)=N2(42)+CO2(31) 3.700000e+14 -0.800 0.344 ! Reaction index: Chemkin #1535; RMG #914 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: NCO(76), CO(30); NCO(76), N2(42); NCO(76), CO(30); NCO(76)+NCO(76)=N2(42)+CO(30)+CO(30) 1.800000e+13 0.000 0.000 ! Reaction index: Chemkin #1536; RMG #916 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: CO(30), CO2(31); N2O(55), N2(42); N2O(55)+CO(30)=N2(42)+CO2(31) 2.700000e+11 0.000 20.237 ! Reaction index: Chemkin #1537; RMG #939 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: CH2(T)(35), HCN(28); N2(42), NH(S)(56); N2(42)+CH2(T)(35)=NH(S)(56)+HCN(28) 1.000000e+13 0.000 74.000 ! Reaction index: Chemkin #1538; RMG #942 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: CH2(S)(41), CH2O(36); N2O(55), N2(42); N2O(55)+CH2(S)(41)=N2(42)+CH2O(36) 3.800000e+13 0.000 0.000 ! Reaction index: Chemkin #1539; RMG #11110 ! PDep reaction: PDepNetwork #232 ! Flux pairs: N2O(55), OH(3); H(5), N2(42); N2O(55)+H(5)(+M)=N2(42)+OH(3)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 9.184e+00 -1.018e-03 -4.713e-04 -1.527e-04 / CHEB/ 2.192e+00 -1.897e-03 -8.769e-04 -2.831e-04 / CHEB/ -5.022e-01 -1.545e-03 -7.098e-04 -2.263e-04 / CHEB/ -3.770e-01 -1.114e-03 -5.060e-04 -1.575e-04 / CHEB/ -2.068e-01 -7.243e-04 -3.231e-04 -9.646e-05 / CHEB/ -8.487e-02 -4.344e-04 -1.883e-04 -5.238e-05 / ! Reaction index: Chemkin #1540; RMG #11491 ! PDep reaction: PDepNetwork #303 ! Flux pairs: N2(324), N2(42); N2(324)(+M)=N2(42)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 9.404e+00 6.243e-01 -1.088e-01 -8.702e-03 / CHEB/ -1.799e-01 1.200e-01 1.561e-02 -7.307e-03 / CHEB/ -4.584e-02 2.167e-02 6.426e-03 -2.956e-04 / CHEB/ -1.606e-02 6.438e-03 2.155e-03 1.357e-04 / CHEB/ -6.374e-03 2.299e-03 8.094e-04 8.893e-05 / CHEB/ -2.629e-03 8.558e-04 3.199e-04 4.730e-05 / ! Reaction index: Chemkin #1541; RMG #230 ! Library reaction: FFCM1(-) ! Flux pairs: C2H3(46), CH3CO(50); OH(3), H(5); OH(3)+C2H3(46)=H(5)+CH3CO(50) 3.000000e+12 0.000 0.000 ! Reaction index: Chemkin #1542; RMG #246 ! Library reaction: FFCM1(-) ! Flux pairs: CH3CO(50), HCO(32); H(5), CH3(15); H(5)+CH3CO(50)=HCO(32)+CH3(15) 9.600000e+13 0.000 0.000 ! Reaction index: Chemkin #1543; RMG #247 ! Library reaction: FFCM1(-) ! Flux pairs: CH3CO(50), CH2CO(45); O(6), OH(3); O(6)+CH3CO(50)=OH(3)+CH2CO(45) 5.270000e+13 0.000 0.000 ! Reaction index: Chemkin #1544; RMG #248 ! Library reaction: FFCM1(-) ! Flux pairs: CH3CO(50), CO2(31); O(6), CH3(15); O(6)+CH3CO(50)=CO2(31)+CH3(15) 1.580000e+14 0.000 0.000 ! Reaction index: Chemkin #1545; RMG #249 ! Library reaction: FFCM1(-) ! Flux pairs: CH3CO(50), CH2CO(45); OH(3), H2O(8); OH(3)+CH3CO(50)=H2O(8)+CH2CO(45) 1.200000e+13 0.000 0.000 ! Reaction index: Chemkin #1546; RMG #250 ! Library reaction: FFCM1(-) ! Flux pairs: CH3CO(50), CO(30); OH(3), OH(3); OH(3), CH3(15); OH(3)+CH3CO(50)=OH(3)+CO(30)+CH3(15) 3.000000e+13 0.000 0.000 ! Reaction index: Chemkin #1547; RMG #251 ! Library reaction: FFCM1(-) ! Flux pairs: CH3CO(50), CO2(31); HO2(10), OH(3); HO2(10), CH3(15); HO2(10)+CH3CO(50)=OH(3)+CO2(31)+CH3(15) 3.000000e+13 0.000 0.000 ! Reaction index: Chemkin #1548; RMG #252 ! Library reaction: FFCM1(-) ! Flux pairs: CH3CO(50), CH2CO(45); O2(2), HO2(10); O2(2)+CH3CO(50)=HO2(10)+CH2CO(45) 2.300000e+10 0.000 0.000 ! Reaction index: Chemkin #1549; RMG #253 ! Library reaction: FFCM1(-) ! Flux pairs: CH3CO(50), CH2CO(45); CH3(15), CH4(16); CH3(15)+CH3CO(50)=CH4(16)+CH2CO(45) 6.080000e+12 0.000 0.000 ! Reaction index: Chemkin #1550; RMG #257 ! Library reaction: FFCM1(-) ! Flux pairs: CH3CHO(52), CH3CO(50); H(5), H2(7); H(5)+CH3CHO(52)=H2(7)+CH3CO(50) 2.050000e+09 1.160 2.405 ! Reaction index: Chemkin #1551; RMG #259 ! Library reaction: FFCM1(-) ! Flux pairs: CH3CHO(52), CH3CO(50); O(6), OH(3); O(6)+CH3CHO(52)=OH(3)+CH3CO(50) 2.920000e+12 0.000 1.808 ! Reaction index: Chemkin #1552; RMG #260 ! Library reaction: FFCM1(-) ! Flux pairs: CH3CHO(52), CH3CO(50); OH(3), H2O(8); OH(3)+CH3CHO(52)=H2O(8)+CH3CO(50) 2.690000e+08 1.350 -1.574 ! Reaction index: Chemkin #1553; RMG #261 ! Library reaction: FFCM1(-) ! Flux pairs: CH3CHO(52), CH3CO(50); O2(2), HO2(10); O2(2)+CH3CHO(52)=HO2(10)+CH3CO(50) 1.200000e+05 2.500 37.560 ! Reaction index: Chemkin #1554; RMG #262 ! Library reaction: FFCM1(-) ! Flux pairs: CH3CHO(52), CH3CO(50); HO2(10), H2O2(11); HO2(10)+CH3CHO(52)=H2O2(11)+CH3CO(50) 4.100000e+04 2.500 10.200 ! Reaction index: Chemkin #1555; RMG #263 ! Library reaction: FFCM1(-) ! Flux pairs: CH3CHO(52), CH3CO(50); CH3(15), CH4(16); CH3(15)+CH3CHO(52)=CH4(16)+CH3CO(50) 2.720000e+06 1.770 5.920 ! Reaction index: Chemkin #1556; RMG #823 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: CH3CO(50), CH2CO(45); H(5), H2(7); H(5)+CH3CO(50)=H2(7)+CH2CO(45) 1.200000e+13 0.000 0.000 ! Reaction index: Chemkin #1557; RMG #824 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: CH3CO(50), C2H6(47); CH3(15), CO(30); CH3(15)+CH3CO(50)=CO(30)+C2H6(47) 3.300000e+13 0.000 0.000 ! Reaction index: Chemkin #1558; RMG #825 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: CH3CO(50), CH2O(36); O2(2), OH(3); O2(2), CO(30); O2(2)+CH3CO(50)=OH(3)+CO(30)+CH2O(36) 1.900000e+12 0.000 0.000 ! Reaction index: Chemkin #1559; RMG #979 ! Library reaction: Nitrogen_Glarborg_Zhang_et_al ! Flux pairs: CH3CO(50), CO2(31); NO2(57), NO(54); NO2(57), CH3(15); NO2(57)+CH3CO(50)=>NO(54)+CO2(31)+CH3(15) 1.500000e+13 0.000 0.000 ! Reaction index: Chemkin #1560; RMG #2775 ! PDep reaction: PDepNetwork #80 ! Flux pairs: CO(30), CH3CO(50); CH3(15), CH3CO(50); CO(30)+CH3(15)(+M)=CH3CO(50)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 7.556e+00 8.840e-01 -4.102e-02 -7.181e-03 / CHEB/ 1.111e+00 1.249e-01 4.137e-02 5.760e-03 / CHEB/ -2.594e-01 -6.936e-03 4.008e-04 1.483e-03 / CHEB/ -2.621e-04 -6.874e-03 -2.488e-03 -3.680e-04 / CHEB/ 4.050e-02 -1.215e-03 -6.776e-04 -2.414e-04 / CHEB/ 2.627e-02 6.597e-04 1.651e-04 -2.055e-05 / ! Reaction index: Chemkin #1561; RMG #8299 ! PDep reaction: PDepNetwork #16 ! Flux pairs: C2H4(24), CH3CO(50); O(6), H(5); O(6)+C2H4(24)(+M)=H(5)+CH3CO(50)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 9.859e+00 -8.086e-02 -2.895e-02 -5.234e-03 / CHEB/ 1.502e+00 8.355e-02 2.709e-02 3.347e-03 / CHEB/ 3.315e-01 3.814e-03 4.609e-03 2.448e-03 / CHEB/ 9.195e-02 -4.288e-03 -1.619e-03 -1.614e-04 / CHEB/ 2.465e-02 -2.770e-03 -1.426e-03 -4.865e-04 / CHEB/ 5.545e-03 -1.278e-03 -3.559e-04 -4.103e-05 / ! Reaction index: Chemkin #1562; RMG #11798 ! PDep reaction: PDepNetwork #316 ! Flux pairs: CH3CO(50), CO(30); H(5), CH4(16); H(5)+CH3CO(50)(+M)=CO(30)+CH4(16)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.286e+01 -3.236e-01 -5.910e-02 1.033e-05 / CHEB/ 3.710e-01 3.297e-01 4.808e-02 -4.051e-03 / CHEB/ 2.424e-02 2.923e-02 1.596e-02 2.908e-03 / CHEB/ -2.979e-02 -2.290e-02 -9.621e-04 1.335e-03 / CHEB/ -1.593e-02 -1.274e-02 -3.099e-03 1.370e-05 / CHEB/ -4.800e-03 -3.273e-03 -1.618e-03 -2.547e-04 / ! Reaction index: Chemkin #1563; RMG #8333 ! Template reaction: Disproportionation ! Estimated using template [CO_rad;XH_s_Rrad] for rate rule [CO_rad/NonDe;Cmethyl_Csrad] ! Euclidian distance = 2.8284271247461903 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation CH3CO(50)+C2H5(48)=C2H4(24)+CH3CHO(52) 5.430000e+14 0.000 0.000 ! Reaction index: Chemkin #1564; RMG #8341 ! Template reaction: Disproportionation ! Estimated using template [Y_rad;N3s/H2_s_Cssrad] for rate rule [CO_rad/NonDe;N3s/H2_s_Cssrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation CH2NH2(26)+CH3CO(50)=CH2NH(25)+CH3CHO(52) 3.200000e+06 1.870 -0.630 ! Reaction index: Chemkin #1565; RMG #8351 ! Template reaction: H_Abstraction ! Flux pairs: C2H6N(13), NCC(1); CH3CHO(52), CH3CO(50); ! Estimated using template [CO/H/Cs;C_sec_rad] for rate rule [CO/H/Cs;C_rad/H/NonDeCN] ! Euclidian distance = 1.0 ! family: H_Abstraction CH3CHO(52)+C2H6N(13)=CH3CO(50)+NCC(1) 1.940000e-04 4.680 6.310 ! Reaction index: Chemkin #1566; RMG #8359 ! Template reaction: Disproportionation ! Estimated using template [CO_rad;XH_s_Rrad] for rate rule [CO_rad/NonDe;Cpri_Rrad] ! Euclidian distance = 2.23606797749979 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation CH3CO(50)+C2H6N(12)=CH3CHO(52)+C2H5N(23) 3.620000e+14 0.000 0.000 ! Reaction index: Chemkin #1567; RMG #8361 ! Template reaction: Disproportionation ! Estimated using template [CO_rad;XH_s_Rrad] for rate rule [CO_rad/NonDe;Cmethyl_Csrad] ! Euclidian distance = 2.8284271247461903 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation CH3CO(50)+C2H6N(13)=CH3CHO(52)+C2H5N(23) 5.430000e+14 0.000 0.000 ! Reaction index: Chemkin #1568; RMG #8369 ! Template reaction: H_Abstraction ! Flux pairs: C2H6N(12), NCC(1); CH3CHO(52), CH3CO(50); ! Estimated using template [CO/H/Cs;C_pri_rad] for rate rule [CO/H/Cs;C_rad/H2/Cs] ! Euclidian distance = 1.0 ! family: H_Abstraction CH3CHO(52)+C2H6N(12)=CH3CO(50)+NCC(1) 3.800000e+11 0.000 7.210 ! Reaction index: Chemkin #1569; RMG #8377 ! Template reaction: H_Abstraction ! Flux pairs: C2H6N(14), NCC(1); CH3CHO(52), CH3CO(50); ! Estimated using template [CO/H/Cs;Y_rad] for rate rule [CO/H/Cs;N3s_rad_pri] ! Euclidian distance = 3.0 ! family: H_Abstraction CH3CHO(52)+C2H6N(14)=CH3CO(50)+NCC(1) 2.000000e+06 1.800 -1.300 ! Reaction index: Chemkin #1570; RMG #8397 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(20), C2H4N(21); CH3CO(50), CH3CHO(52); ! Estimated using template [C_pri;CO_rad/Cs] for rate rule [C/H3/OneDe;CO_rad/Cs] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction CH3CO(50)+C2H5N(20)=CH3CHO(52)+C2H4N(21) 9.060000e+03 2.750 41.233 ! Reaction index: Chemkin #1571; RMG #8401 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(23), C2H4N(21); CH3CO(50), CH3CHO(52); ! Estimated using average of templates [X_H;CO_rad/Cs] + [N3s/H2/OneDe;Y_rad] for rate rule [N3s/H2/OneDe;CO_rad/Cs] ! Euclidian distance = 4.0 ! Multiplied by reaction path degeneracy 2.0 ! family: H_Abstraction CH3CO(50)+C2H5N(23)=CH3CHO(52)+C2H4N(21) 5.245196e+05 2.127 21.668 ! Reaction index: Chemkin #1572; RMG #8409 ! Template reaction: H_Abstraction ! Flux pairs: C2H5N(20), CH3CHN(22); CH3CO(50), CH3CHO(52); ! Estimated using template [N3d/H/NonDe;CO_rad] for rate rule [N3d/H/NonDeC;CO_rad/Cs] ! Euclidian distance = 3.1622776601683795 ! family: H_Abstraction CH3CO(50)+C2H5N(20)=CH3CHO(52)+CH3CHN(22) 5.830000e-01 3.840 0.115 ! Reaction index: Chemkin #1573; RMG #8413 ! Template reaction: Disproportionation ! Estimated using template [Y_rad;N3d/H_d_Crad] for rate rule [CO_rad/NonDe;N3d/H_d_Crad] ! Euclidian distance = 3.0 ! family: Disproportionation HCNH(69)+CH3CO(50)=HCN(28)+CH3CHO(52) 8.200000e+05 1.870 -1.110 ! Reaction index: Chemkin #1574; RMG #8415 ! Template reaction: Disproportionation ! Estimated using template [Y_rad;Cds/H2_d_N3rad] for rate rule [CO_rad/NonDe;Cds/H2_d_N3rad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation H2CN(68)+CH3CO(50)=HCN(28)+CH3CHO(52) 1.620000e+06 1.870 -1.110 ! Reaction index: Chemkin #1575; RMG #8421 ! Template reaction: Disproportionation ! Estimated using template [Y_rad;N3s/H2_s_Crad] for rate rule [CO_rad/NonDe;N3s/H2_s_Cdsrad] ! Euclidian distance = 3.1622776601683795 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation CH3CO(50)+C2H4N(150)=CH2CNH(27)+CH3CHO(52) 2.307599e+07 1.790 -0.903 ! Reaction index: Chemkin #1576; RMG #8425 ! Template reaction: Disproportionation ! Estimated using template [CO_rad;XH_s_Rrad] for rate rule [CO_rad/NonDe;Cdpri_Nrad] ! Euclidian distance = 2.8284271247461903 ! family: Disproportionation CH3CO(50)+C2H4N(21)=CH2CNH(27)+CH3CHO(52) 1.810000e+14 0.000 0.000 ! Reaction index: Chemkin #1577; RMG #8433 ! Template reaction: H_Abstraction ! Flux pairs: C2H4N(21), C2H3N(165); CH3CO(50), CH3CHO(52); ! Estimated using average of templates [X_H;CO_rad/Cs] + [N3d/H/NonDe;CO_rad] for rate rule [N3d/H/NonDe;CO_rad/Cs] ! Euclidian distance = 3.0 ! family: H_Abstraction CH3CO(50)+C2H4N(21)=C2H3N(165)+CH3CHO(52) 1.268358e+02 3.047 18.556 ! Reaction index: Chemkin #1578; RMG #8435 ! Template reaction: H_Abstraction ! Flux pairs: CH3CHN(22), C2H3N(165); CH3CO(50), CH3CHO(52); ! Estimated using template [C_pri;CO_rad/Cs] for rate rule [C/H3/OneDe;CO_rad/Cs] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 3.0 ! family: H_Abstraction CH3CO(50)+CH3CHN(22)=C2H3N(165)+CH3CHO(52) 9.060000e+03 2.750 41.233 ! Reaction index: Chemkin #1579; RMG #8445 ! Template reaction: H_Abstraction ! Flux pairs: HCNH(69), CH2NH(25); CH3CHO(52), CH3CO(50); ! From training reaction 377 used for CO/H/Cs;Y_rad ! Exact match found for rate rule [CO/H/Cs;Y_rad] ! Euclidian distance = 0 ! family: H_Abstraction HCNH(69)+CH3CHO(52)=CH2NH(25)+CH3CO(50) 2.000000e+06 1.800 -1.300 ! Reaction index: Chemkin #1580; RMG #8453 ! Template reaction: Disproportionation ! Estimated using template [Y_rad;N3s/H2_s_Cssrad] for rate rule [CO_rad/NonDe;N3s/H2_s_Cssrad] ! Euclidian distance = 3.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation CH3CO(50)+C2H6N(13)=CH3CHO(52)+C2H5N(20) 3.200000e+06 1.870 -0.630 ! Reaction index: Chemkin #1581; RMG #8455 ! Template reaction: Disproportionation ! Estimated using template [Y_rad;C/H2/Nd_Rrad] for rate rule [CO_rad/NonDe;C/H2/Nd_Nrad] ! Euclidian distance = 3.1622776601683795 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation CH3CO(50)+C2H6N(14)=CH3CHO(52)+C2H5N(20) 8.573997e+11 0.200 -0.100 ! Reaction index: Chemkin #1582; RMG #8457 ! Template reaction: CO_Disproportionation ! Estimated using template [CO_rad;HCO] for rate rule [CO_rad/NonDe;HCO] ! Euclidian distance = 2.0 ! family: CO_Disproportionation HCO(32)+CH3CO(50)=CO(30)+CH3CHO(52) 1.800000e+13 0.000 0.000 ! Reaction index: Chemkin #1583; RMG #8467 ! Template reaction: H_Abstraction ! Flux pairs: C2H4N(164), C2H5N(196); CH3CHO(52), CH3CO(50); ! Estimated using template [CO/H/Cs;C_sec_rad] for rate rule [CO/H/Cs;C_rad/H/NonDeCN] ! Euclidian distance = 1.0 ! family: H_Abstraction CH3CHO(52)+C2H4N(164)=CH3CO(50)+C2H5N(196) 1.940000e-04 4.680 6.310 ! Reaction index: Chemkin #1584; RMG #8473 ! Template reaction: H_Abstraction ! Flux pairs: CH2O(36), HCO(32); CH3CO(50), CH3CHO(52); ! Matched reaction 367 CH2O + C2H3O <=> C2H4O + HCO_r3 in H_Abstraction/training ! This reaction matched rate rule [CO/H/Cs;CO_pri_rad] ! family: H_Abstraction CH2O(36)+CH3CO(50)=HCO(32)+CH3CHO(52) 1.810000e+11 0.000 12.920 ! Reaction index: Chemkin #1585; RMG #8479 ! Template reaction: H_Abstraction ! Flux pairs: CH2NH(25), H2CN(68); CH3CO(50), CH3CHO(52); ! Estimated using template [N3d/H/NonDe;CO_rad] for rate rule [N3d/H/NonDeC;CO_rad/Cs] ! Euclidian distance = 3.1622776601683795 ! family: H_Abstraction CH2NH(25)+CH3CO(50)=H2CN(68)+CH3CHO(52) 5.830000e-01 3.840 0.115 ! Reaction index: Chemkin #1586; RMG #8483 ! Template reaction: Disproportionation ! Estimated using template [Y_rad;Cds/H2_d_Rrad] for rate rule [CO_rad/NonDe;Cds/H2_d_Crad] ! Euclidian distance = 3.1622776601683795 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H3(46)+CH3CO(50)=C2H2(39)+CH3CHO(52) 8.204641e+06 1.877 -1.115 ! Reaction index: Chemkin #1587; RMG #8489 ! Template reaction: H_Abstraction ! Flux pairs: CH2(T)(35), CH3(15); CH3CHO(52), CH3CO(50); ! Estimated using template [CO/H/Cs;Y_1centerbirad] for rate rule [CO/H/Cs;CH2_triplet] ! Euclidian distance = 1.0 ! family: H_Abstraction CH2(T)(35)+CH3CHO(52)=CH3(15)+CH3CO(50) 5.800000e+12 0.000 1.808 ! Reaction index: Chemkin #1588; RMG #8493 ! Template reaction: H_Abstraction ! Flux pairs: CH(34), CH2(S)(41); CH3CHO(52), CH3CO(50); ! Estimated using template [CO/H/Cs;Y_rad_birad_trirad_quadrad] for rate rule [CO/H/Cs;CH_doublet] ! Euclidian distance = 2.0 ! family: H_Abstraction CH(34)+CH3CHO(52)=CH2(S)(41)+CH3CO(50) 1.303658e+05 2.017 0.439 ! Reaction index: Chemkin #1589; RMG #8499 ! Template reaction: Disproportionation ! Estimated using template [Y_rad;CH_d_Rrad] for rate rule [CO_rad/NonDe;Cds/H/NonDe_d_Rrad] ! Euclidian distance = 3.605551275463989 ! family: Disproportionation CH3CO(50)+CH3CHN(22)=CH3CN(29)+CH3CHO(52) 4.301018e+06 1.908 -1.134 ! Reaction index: Chemkin #1590; RMG #8509 ! Template reaction: H_Abstraction ! Flux pairs: C2H4N(151), C2H5N(23); CH3CHO(52), CH3CO(50); ! Estimated using an average for rate rule [CO/H/Cs;Cd_pri_rad] ! Euclidian distance = 0 ! family: H_Abstraction CH3CHO(52)+C2H4N(151)=CH3CO(50)+C2H5N(23) 8.130000e+10 0.000 3.680 ! Reaction index: Chemkin #1591; RMG #8517 ! Template reaction: H_Abstraction ! Flux pairs: C2H4N(150), C2H5N(23); CH3CHO(52), CH3CO(50); ! Estimated using template [CO/H/Cs;Cd_rad] for rate rule [CO/H/Cs;Cd_rad/NonDeN] ! Euclidian distance = 2.0 ! family: H_Abstraction CH3CHO(52)+C2H4N(150)=CH3CO(50)+C2H5N(23) 8.130000e+10 0.000 3.680 ! Reaction index: Chemkin #1592; RMG #8523 ! Template reaction: H_Abstraction ! Flux pairs: C2H6(47), C2H5(48); CH3CO(50), CH3CHO(52); ! Matched reaction 327 C2H3O + C2H6 <=> C2H4O + C2H5 in H_Abstraction/training ! This reaction matched rate rule [CO/H/Cs;C_rad/H2/Cs\H3] ! family: H_Abstraction CH3CO(50)+C2H6(47)=CH3CHO(52)+C2H5(48) 1.812000e+04 2.750 41.233 ! Reaction index: Chemkin #1593; RMG #8529 ! Template reaction: Disproportionation ! Estimated using template [CO_rad;XH_s_Rrad] for rate rule [CO_rad/NonDe;Cdpri_Csrad] ! Euclidian distance = 2.8284271247461903 ! family: Disproportionation CH3CO(50)+C2H3N(165)=CH2CN(124)+CH3CHO(52) 1.810000e+14 0.000 0.000 ! Reaction index: Chemkin #1594; RMG #8531 ! Template reaction: H_Abstraction ! Flux pairs: CH2CNH(27), CH2CN(124); CH3CO(50), CH3CHO(52); ! Estimated using template [X_H;CO_rad/Cs] for rate rule [N3d/H/OneDe;CO_rad/Cs] ! Euclidian distance = 3.0 ! family: H_Abstraction CH3CO(50)+CH2CNH(27)=CH2CN(124)+CH3CHO(52) 2.759401e+04 2.254 36.997 ! Reaction index: Chemkin #1595; RMG #8535 ! Template reaction: H_Abstraction ! Flux pairs: CH2CN(124), CH3CN(29); CH3CHO(52), CH3CO(50); ! Estimated using template [CO/H/Cs;C_pri_rad] for rate rule [CO/H/Cs;C_rad/H2/Ct] ! Euclidian distance = 1.0 ! family: H_Abstraction CH2CN(124)+CH3CHO(52)=CH3CO(50)+CH3CN(29) 3.800000e+11 0.000 7.210 ! Reaction index: Chemkin #1596; RMG #8545 ! Template reaction: Disproportionation ! Estimated using template [Y_rad;N3H_s_Rrad] for rate rule [CO_rad/NonDe;N3s/H/NonDe_s_Rrad] ! Euclidian distance = 3.1622776601683795 ! family: Disproportionation CH3CO(50)+C2H4N(164)=C2H3N(178)+CH3CHO(52) 4.195969e+06 1.909 -0.511 ! Reaction index: Chemkin #1597; RMG #8555 ! Template reaction: H_Abstraction ! Flux pairs: C2H3(46), C2H4(24); CH3CHO(52), CH3CO(50); ! Matched reaction 376 C2H3 + C2H4O <=> C2H4 + C2H3O in H_Abstraction/training ! This reaction matched rate rule [CO/H/Cs;Cd_Cd\H2_pri_rad] ! family: H_Abstraction C2H3(46)+CH3CHO(52)=CH3CO(50)+C2H4(24) 8.130000e+10 0.000 3.680 ! Reaction index: Chemkin #1598; RMG #8567 ! Template reaction: H_Abstraction ! Flux pairs: CN(77), HCN(28); CH3CHO(52), CH3CO(50); ! Estimated using template [CO/H/Cs;Y_rad] for rate rule [CO/H/Cs;Ct_rad/N] ! Euclidian distance = 2.0 ! family: H_Abstraction CN(77)+CH3CHO(52)=HCN(28)+CH3CO(50) 2.000000e+06 1.800 -1.300 ! Reaction index: Chemkin #1599; RMG #8571 ! Template reaction: Disproportionation ! Estimated using template [CO_rad;XH_Rrad] for rate rule [CO_rad/NonDe;CH_d_Rrad] ! Euclidian distance = 2.8284271247461903 ! family: Disproportionation CHNO(171)+CH3CO(50)=NCO(76)+CH3CHO(52) 1.810000e+14 0.000 0.000 ! Reaction index: Chemkin #1600; RMG #8577 ! Template reaction: H_Abstraction ! Flux pairs: NCO(76), HNCO(74); CH3CHO(52), CH3CO(50); ! Estimated using template [X_H;N3d_rad/OneDeCdd_O] for rate rule [CO/H/Cs;N3d_rad/OneDeCdd_O] ! Euclidian distance = 4.0 ! family: H_Abstraction NCO(76)+CH3CHO(52)=HNCO(74)+CH3CO(50) 5.930153e+06 1.827 6.480 ! Reaction index: Chemkin #1601; RMG #8587 ! Template reaction: H_Abstraction ! Flux pairs: NH(T)(59), N(53); CH3CO(50), CH3CHO(52); ! Estimated using template [X_H_or_Xrad_H_Xbirad_H_Xtrirad_H;CO_rad/Cs] for rate rule [NH_triplet_H;CO_rad/Cs] ! Euclidian distance = 2.0 ! family: H_Abstraction NH(T)(59)+CH3CO(50)=N(53)+CH3CHO(52) 2.759401e+04 2.254 36.997 ! Reaction index: Chemkin #1602; RMG #8591 ! Template reaction: H_Abstraction ! Flux pairs: HNO(62), NO(54); CH3CO(50), CH3CHO(52); ! Estimated using template [N3d/H/NonDeO;CO_rad] for rate rule [N3d/H/NonDeO;CO_rad/Cs] ! Euclidian distance = 3.0 ! family: H_Abstraction HNO(62)+CH3CO(50)=NO(54)+CH3CHO(52) 5.830000e-01 3.840 0.115 ! Reaction index: Chemkin #1603; RMG #8621 ! Template reaction: Disproportionation ! Estimated using template [CO_rad;XH_s_Rrad] for rate rule [CO_rad/NonDe;Cdpri_Orad] ! Euclidian distance = 2.8284271247461903 ! family: Disproportionation C2H2O(206)+CH3CO(50)=HCCO(37)+CH3CHO(52) 1.810000e+14 0.000 0.000 ! Reaction index: Chemkin #1604; RMG #8623 ! Template reaction: H_Abstraction ! Flux pairs: HCCO(37), CH2CO(45); CH3CHO(52), CH3CO(50); ! Estimated using template [CO/H/Cs;Cd_rad] for rate rule [CO/H/Cs;Cd_Cdd_rad/H] ! Euclidian distance = 2.0 ! family: H_Abstraction HCCO(37)+CH3CHO(52)=CH2CO(45)+CH3CO(50) 8.130000e+10 0.000 3.680 ! Reaction index: Chemkin #1605; RMG #8625 ! Template reaction: Disproportionation ! Estimated using template [Y_rad;Cds/H2_d_Rrad] for rate rule [CO_rad/NonDe;Cds/H2_d_Crad] ! Euclidian distance = 3.1622776601683795 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H2O(192)+CH3CO(50)=HCCO(37)+CH3CHO(52) 8.204641e+06 1.877 -1.115 ! Reaction index: Chemkin #1606; RMG #11797 ! PDep reaction: PDepNetwork #316 ! Flux pairs: H(5), CH3CHO(52); CH3CO(50), CH3CHO(52); H(5)+CH3CO(50)(+M)=CH3CHO(52)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.314e+01 5.152e-01 -7.189e-02 3.847e-03 / CHEB/ -9.874e-01 3.238e-01 2.470e-02 -8.132e-03 / CHEB/ -5.439e-01 9.993e-02 1.943e-02 -7.558e-04 / CHEB/ -2.596e-01 1.689e-02 7.759e-03 8.342e-04 / CHEB/ -1.084e-01 -3.761e-03 1.730e-03 5.986e-04 / CHEB/ -3.728e-02 -5.551e-03 -1.869e-04 2.855e-04 / ! Reaction index: Chemkin #1607; RMG #10575 ! Template reaction: Disproportionation ! Estimated using template [O_rad/NonDeO;XH_s_Rrad] for rate rule [O_rad/NonDeO;Cmethyl_COrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation HO2(10)+CH3CO(50)=H2O2(11)+CH2CO(45) 1.247681e+07 2.018 -1.200 ! Reaction index: Chemkin #1608; RMG #10578 ! Template reaction: Disproportionation ! Estimated using template [C_sec_rad;Cmethyl_Rrad] for rate rule [C_rad/H/NonDeN;Cmethyl_COrad] ! Euclidian distance = 1.4142135623730951 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation CH3CO(50)+C2H6N(13)=CH2CO(45)+NCC(1) 6.128317e+12 -0.311 0.000 ! Reaction index: Chemkin #1609; RMG #10581 ! Template reaction: Disproportionation ! Estimated using template [C_rad/H2/Cs;Cmethyl_Rrad] for rate rule [C_rad/H2/Cs;Cmethyl_COrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation CH3CO(50)+C2H6N(12)=CH2CO(45)+NCC(1) 6.900000e+13 -0.350 0.000 ! Reaction index: Chemkin #1610; RMG #10584 ! Template reaction: Disproportionation ! Estimated using template [N3s_rad/H/NonDe;XH_s_Rrad] for rate rule [N3s_rad/H/NonDeC;Cmethyl_COrad] ! Euclidian distance = 2.23606797749979 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation CH3CO(50)+C2H6N(14)=CH2CO(45)+NCC(1) 4.900204e+05 2.315 0.265 ! Reaction index: Chemkin #1611; RMG #10588 ! Template reaction: Disproportionation ! Estimated using template [CH2_triplet;Cmethyl_Rrad] for rate rule [CH2_triplet;Cmethyl_COrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation CH2(T)(35)+CH3CO(50)=CH3(15)+CH2CO(45) 9.030000e+13 0.000 0.000 ! Reaction index: Chemkin #1612; RMG #10598 ! Template reaction: Disproportionation ! Estimated using template [Cd_pri_rad;Cmethyl_Rrad] for rate rule [Cd_pri_rad;Cmethyl_COrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C2H3(46)+CH3CO(50)=CH2CO(45)+C2H4(24) 4.560000e+14 -0.700 0.000 ! Reaction index: Chemkin #1613; RMG #10604 ! Template reaction: Disproportionation ! Estimated using template [Y_rad;Cmethyl_Rrad] for rate rule [Y_rad;Cmethyl_COrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation HCNH(69)+CH3CO(50)=CH2NH(25)+CH2CO(45) 2.753723e+12 0.148 -0.202 ! Reaction index: Chemkin #1614; RMG #10607 ! Template reaction: Disproportionation ! Estimated using template [N3d_rad/C;XH_s_Rrad] for rate rule [N3d_rad/C;Cmethyl_COrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation H2CN(68)+CH3CO(50)=CH2NH(25)+CH2CO(45) 4.200000e+04 2.690 -1.610 ! Reaction index: Chemkin #1615; RMG #10620 ! Template reaction: Disproportionation ! Estimated using template [Cd_rad;Cmethyl_Rrad] for rate rule [Cd_rad/NonDeN;Cmethyl_COrad] ! Euclidian distance = 2.23606797749979 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation CH3CO(50)+C2H4N(150)=CH2CO(45)+C2H5N(23) 4.560000e+14 -0.700 0.000 ! Reaction index: Chemkin #1616; RMG #10623 ! Template reaction: Disproportionation ! Estimated using template [Cd_pri_rad;Cmethyl_Rrad] for rate rule [Cd_pri_rad;Cmethyl_COrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation CH3CO(50)+C2H4N(151)=CH2CO(45)+C2H5N(23) 4.560000e+14 -0.700 0.000 ! Reaction index: Chemkin #1617; RMG #10626 ! Template reaction: Disproportionation ! Estimated using template [N3s_rad_pri;XH_s_Rrad] for rate rule [N3s_rad/H/OneDe;Cmethyl_COrad] ! Euclidian distance = 2.23606797749979 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation CH3CO(50)+C2H4N(21)=CH2CO(45)+C2H5N(23) 4.900204e+05 2.315 0.265 ! Reaction index: Chemkin #1618; RMG #10649 ! Template reaction: Disproportionation ! Estimated using template [CO_pri_rad;XH_s_Rrad] for rate rule [CO_pri_rad;Cmethyl_COrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation HCO(32)+CH3CO(50)=CH2O(36)+CH2CO(45) 5.430000e+14 0.000 0.000 ! Reaction index: Chemkin #1619; RMG #10660 ! Template reaction: Disproportionation ! Estimated using template [N3d_rad/C;XH_s_Rrad] for rate rule [N3d_rad/C;Cmethyl_COrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation CH3CO(50)+C2H3N(165)=CH2CO(45)+C2H4N(21) 4.200000e+04 2.690 -1.610 ! Reaction index: Chemkin #1620; RMG #10666 ! Template reaction: Disproportionation ! Estimated using template [C_rad/H2/Cd;Cmethyl_Rrad] for rate rule [C_rad/H2/Cd;Cmethyl_COrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation CH3CO(50)+C2H3N(165)=CH2CO(45)+CH3CHN(22) 6.870000e+13 -0.350 -0.130 ! Reaction index: Chemkin #1621; RMG #10673 ! Template reaction: Disproportionation ! Estimated using template [Ct_rad;Cmethyl_Rrad] for rate rule [Ct_rad/Nt;Cmethyl_COrad] ! Euclidian distance = 1.4142135623730951 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation CN(77)+CH3CO(50)=HCN(28)+CH2CO(45) 1.083000e+13 0.000 0.000 ! Reaction index: Chemkin #1622; RMG #10679 ! Template reaction: Disproportionation ! Estimated using template [N3d_rad/C;XH_s_Rrad] for rate rule [N3d_rad/C;Cmethyl_COrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation CH2CN(124)+CH3CO(50)=CH2CO(45)+CH2CNH(27) 4.200000e+04 2.690 -1.610 ! Reaction index: Chemkin #1623; RMG #10698 ! Template reaction: Disproportionation ! Estimated using template [C_rad/H2/Cd;Cmethyl_Rrad] for rate rule [C_rad/H2/Cd;Cmethyl_COrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation CH3CO(50)+C2H4N(21)=CH2CO(45)+C2H5N(20) 6.870000e+13 -0.350 -0.130 ! Reaction index: Chemkin #1624; RMG #10704 ! Template reaction: Disproportionation ! Estimated using template [N3d_rad/C;XH_s_Rrad] for rate rule [N3d_rad/C;Cmethyl_COrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation CH3CO(50)+CH3CHN(22)=CH2CO(45)+C2H5N(20) 4.200000e+04 2.690 -1.610 ! Reaction index: Chemkin #1625; RMG #10707 ! Template reaction: Disproportionation ! Estimated using template [C_rad/H2/Cs;Cmethyl_Rrad] for rate rule [C_rad/H2/Cs;Cmethyl_COrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation CH3CO(50)+C2H5(48)=CH2CO(45)+C2H6(47) 6.900000e+13 -0.350 0.000 ! Reaction index: Chemkin #1626; RMG #10730 ! Template reaction: Disproportionation ! Estimated using template [Y_rad_birad_trirad_quadrad;Cmethyl_Rrad] for rate rule [CH_doublet;Cmethyl_COrad] ! Euclidian distance = 2.23606797749979 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation CH(34)+CH3CO(50)=CH2(S)(41)+CH2CO(45) 1.461171e+12 0.345 3.335 ! Reaction index: Chemkin #1627; RMG #10739 ! Template reaction: Disproportionation ! Estimated using template [C_pri_rad;Cmethyl_Rrad] for rate rule [C_rad/H2/Ct;Cmethyl_COrad] ! Euclidian distance = 1.4142135623730951 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation CH2CN(124)+CH3CO(50)=CH2CO(45)+CH3CN(29) 3.450974e+13 -0.233 -0.043 ! Reaction index: Chemkin #1628; RMG #10771 ! Template reaction: Disproportionation ! Estimated using template [Y_rad_birad_trirad_quadrad;Cmethyl_Rrad] for rate rule [N_atom_quartet;Cmethyl_COrad] ! Euclidian distance = 2.23606797749979 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation N(53)+CH3CO(50)=NH(T)(59)+CH2CO(45) 1.461171e+12 0.345 3.335 ! Reaction index: Chemkin #1629; RMG #10799 ! Template reaction: Disproportionation ! Estimated using template [N3d_rad/C;XH_s_Rrad] for rate rule [N3d_rad/C;Cmethyl_COrad] ! Euclidian distance = 2.0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation NCO(76)+CH3CO(50)=HNCO(74)+CH2CO(45) 4.200000e+04 2.690 -1.610 ! Reaction index: Chemkin #1630; RMG #10809 ! Template reaction: Disproportionation ! Estimated using template [C_sec_rad;Cmethyl_Rrad] for rate rule [C_rad/H/NonDeN;Cmethyl_COrad] ! Euclidian distance = 1.4142135623730951 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation CH3CO(50)+C2H4N(164)=CH2CO(45)+C2H5N(196) 6.128317e+12 -0.311 0.000 ! Reaction index: Chemkin #1631; RMG #10839 ! Template reaction: Disproportionation ! Estimated using template [CO_rad;XH_s_Rrad] for rate rule [CO_rad/NonDe;Cmethyl_COrad] ! Euclidian distance = 2.8284271247461903 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation CH3CO(50)+CH3CO(50)=CH2CO(45)+CH3CHO(52) 5.430000e+14 0.000 0.000 ! Reaction index: Chemkin #1632; RMG #10851 ! Template reaction: Disproportionation ! Estimated using template [N3d_rad;XH_s_Rrad] for rate rule [N3d_rad/O;Cmethyl_COrad] ! Euclidian distance = 2.23606797749979 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation NO(54)+CH3CO(50)=HNO(62)+CH2CO(45) 4.200000e+04 2.690 -1.610 ! Reaction index: Chemkin #1633; RMG #10875 ! Template reaction: Disproportionation ! Estimated using template [Cd_pri_rad;Cmethyl_Rrad] for rate rule [Cd_pri_rad;Cmethyl_COrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation HCCO(37)+CH3CO(50)=CH2CO(45)+CH2CO(45) 4.560000e+14 -0.700 0.000 ! Reaction index: Chemkin #1634; RMG #11147 ! Template reaction: Disproportionation ! Flux pairs: CH2NH2(26), CH2NH(25); C2H2O(192), CH3CO(50); ! From training reaction 130 used for Y_rad;N3s/H2_s_Cssrad ! Exact match found for rate rule [Y_rad;N3s/H2_s_Cssrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation CH2NH2(26)+C2H2O(192)=CH2NH(25)+CH3CO(50) 3.200000e+06 1.870 -0.630 ! Reaction index: Chemkin #1635; RMG #11166 ! Template reaction: Disproportionation ! Flux pairs: C2H6N(13), C2H5N(20); C2H2O(192), CH3CO(50); ! From training reaction 130 used for Y_rad;N3s/H2_s_Cssrad ! Exact match found for rate rule [Y_rad;N3s/H2_s_Cssrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H2O(192)+C2H6N(13)=CH3CO(50)+C2H5N(20) 3.200000e+06 1.870 -0.630 ! Reaction index: Chemkin #1636; RMG #11168 ! Template reaction: Disproportionation ! Flux pairs: C2H6N(13), C2H5N(23); C2H2O(192), CH3CO(50); ! From training reaction 5 used for Y_rad;Cmethyl_Csrad ! Exact match found for rate rule [Y_rad;Cmethyl_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C2H2O(192)+C2H6N(13)=CH3CO(50)+C2H5N(23) 6.570000e+14 -0.680 0.000 ! Reaction index: Chemkin #1637; RMG #11186 ! Template reaction: Disproportionation ! Flux pairs: C2H6N(12), C2H5N(23); C2H2O(192), CH3CO(50); ! Estimated using an average for rate rule [Y_rad;Cpri_Rrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H2O(192)+C2H6N(12)=CH3CO(50)+C2H5N(23) 3.692901e+11 0.321 -0.166 ! Reaction index: Chemkin #1638; RMG #11195 ! Template reaction: Disproportionation ! Flux pairs: C2H6N(14), C2H5N(20); C2H2O(192), CH3CO(50); ! Estimated using template [Y_rad;C/H2/Nd_Rrad] for rate rule [Y_rad;C/H2/Nd_Nrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H2O(192)+C2H6N(14)=CH3CO(50)+C2H5N(20) 8.573997e+11 0.200 -0.100 ! Reaction index: Chemkin #1639; RMG #11210 ! Template reaction: Disproportionation ! Flux pairs: C2H4N(21), CH2CNH(27); C2H2O(192), CH3CO(50); ! From training reaction 46 used for Y_rad;Cdpri_Csrad ! Exact match found for rate rule [Y_rad;Cdpri_Csrad] ! Euclidian distance = 0 ! family: Disproportionation C2H2O(192)+C2H4N(21)=CH3CO(50)+CH2CNH(27) 3.010000e+12 0.000 6.000 ! Reaction index: Chemkin #1640; RMG #11222 ! Template reaction: Disproportionation ! Flux pairs: CH3CHN(22), CH3CN(29); C2H2O(192), CH3CO(50); ! Estimated using template [Y_rad;CH_d_Rrad] for rate rule [Y_rad;Cds/H/NonDe_d_Rrad] ! Euclidian distance = 2.0 ! family: Disproportionation C2H2O(192)+CH3CHN(22)=CH3CO(50)+CH3CN(29) 4.301018e+06 1.908 -1.134 ! Reaction index: Chemkin #1641; RMG #11241 ! Template reaction: Disproportionation ! Flux pairs: C2H3N(165), CH2CN(124); C2H2O(192), CH3CO(50); ! Estimated using an average for rate rule [Y_rad;CH_d_Rrad] ! Euclidian distance = 0 ! family: Disproportionation C2H2O(192)+C2H3N(165)=CH2CN(124)+CH3CO(50) 4.301018e+06 1.908 -1.134 ! Reaction index: Chemkin #1642; RMG #11250 ! Template reaction: Disproportionation ! Flux pairs: HCNH(69), HCN(28); C2H2O(192), CH3CO(50); ! From training reaction 122 used for Y_rad;N3d/H_d_Crad ! Exact match found for rate rule [Y_rad;N3d/H_d_Crad] ! Euclidian distance = 0 ! family: Disproportionation HCNH(69)+C2H2O(192)=HCN(28)+CH3CO(50) 8.200000e+05 1.870 -1.110 ! Reaction index: Chemkin #1643; RMG #11269 ! Template reaction: Disproportionation ! Flux pairs: C2H4N(164), C2H3N(178); C2H2O(192), CH3CO(50); ! Estimated using template [Y_rad;N3H_s_Rrad] for rate rule [Y_rad;N3s/H/NonDe_s_Rrad] ! Euclidian distance = 1.0 ! family: Disproportionation C2H2O(192)+C2H4N(164)=CH3CO(50)+C2H3N(178) 4.195969e+06 1.909 -0.511 ! Reaction index: Chemkin #1644; RMG #11281 ! Template reaction: CO_Disproportionation ! Flux pairs: HCO(32), CO(30); C2H2O(192), CH3CO(50); ! Estimated using an average for rate rule [Y_rad;HCO] ! Euclidian distance = 0 ! family: CO_Disproportionation HCO(32)+C2H2O(192)=CO(30)+CH3CO(50) 1.347651e+15 -0.548 0.393 ! Reaction index: Chemkin #1645; RMG #11287 ! Template reaction: Disproportionation ! Flux pairs: H2CN(68), HCN(28); C2H2O(192), CH3CO(50); ! From training reaction 114 used for Y_rad;Cds/H2_d_N3rad ! Exact match found for rate rule [Y_rad;Cds/H2_d_N3rad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation H2CN(68)+C2H2O(192)=HCN(28)+CH3CO(50) 1.620000e+06 1.870 -1.110 ! Reaction index: Chemkin #1646; RMG #11316 ! Template reaction: Disproportionation ! Flux pairs: C2H4N(150), CH2CNH(27); C2H2O(192), CH3CO(50); ! Estimated using template [Y_rad;N3s/H2_s_Crad] for rate rule [Y_rad;N3s/H2_s_Cdsrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H2O(192)+C2H4N(150)=CH3CO(50)+CH2CNH(27) 2.307599e+07 1.790 -0.903 ! Reaction index: Chemkin #1647; RMG #11327 ! Template reaction: Disproportionation ! Flux pairs: C2H5(48), C2H4(24); C2H2O(192), CH3CO(50); ! From training reaction 5 used for Y_rad;Cmethyl_Csrad ! Exact match found for rate rule [Y_rad;Cmethyl_Csrad] ! Euclidian distance = 0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C2H2O(192)+C2H5(48)=CH3CO(50)+C2H4(24) 6.570000e+14 -0.680 0.000 ! Reaction index: Chemkin #1648; RMG #11348 ! Template reaction: Disproportionation ! Flux pairs: C2H3(46), C2H2(39); C2H2O(192), CH3CO(50); ! Estimated using average of templates [Y_rad_birad_trirad_quadrad;Cds/H2_d_Crad] + [Y_rad;Cds/H2_d_Rrad] for rate rule [Y_rad;Cds/H2_d_Crad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H2O(192)+C2H3(46)=C2H2(39)+CH3CO(50) 2.065530e+11 0.309 1.097 ! Reaction index: Chemkin #1649; RMG #11405 ! Template reaction: Disproportionation ! Flux pairs: CHNO(171), NCO(76); C2H2O(192), CH3CO(50); ! Estimated using template [Y_rad;Cdpri_Rrad] for rate rule [Y_rad;Cdpri_Orad] ! Euclidian distance = 1.0 ! family: Disproportionation CHNO(171)+C2H2O(192)=NCO(76)+CH3CO(50) 3.480312e+12 0.000 6.000 ! Reaction index: Chemkin #1650; RMG #11426 ! Template reaction: Disproportionation ! Flux pairs: C2H2O(206), HCCO(37); C2H2O(192), CH3CO(50); ! Estimated using template [Y_rad;Cdpri_Rrad] for rate rule [Y_rad;Cdpri_Orad] ! Euclidian distance = 1.0 ! family: Disproportionation C2H2O(192)+C2H2O(206)=HCCO(37)+CH3CO(50) 3.480312e+12 0.000 6.000 ! Reaction index: Chemkin #1651; RMG #11446 ! Template reaction: Disproportionation ! Flux pairs: C2H2O(192), HCCO(37); C2H2O(192), CH3CO(50); ! Estimated using average of templates [Y_rad_birad_trirad_quadrad;Cds/H2_d_Crad] + [Y_rad;Cds/H2_d_Rrad] for rate rule [Y_rad;Cds/H2_d_Crad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 2.0 ! family: Disproportionation C2H2O(192)+C2H2O(192)=HCCO(37)+CH3CO(50) 2.065530e+11 0.309 1.097 ! Reaction index: Chemkin #1652; RMG #11581 ! PDep reaction: PDepNetwork #295 ! Flux pairs: H(5), CH3CO(50); CH2CO(45), CH3CO(50); H(5)+CH2CO(45)(+M)=CH3CO(50)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 7.972e+00 9.996e-01 -1.966e-04 -6.827e-05 / CHEB/ 9.017e-01 4.262e-04 2.042e-04 7.088e-05 / CHEB/ 7.560e-02 -6.073e-05 -2.906e-05 -1.006e-05 / CHEB/ 9.126e-02 -2.635e-05 -1.264e-05 -4.396e-06 / CHEB/ 6.190e-02 -6.008e-06 -2.884e-06 -1.004e-06 / CHEB/ 2.751e-02 6.800e-07 3.257e-07 1.129e-07 / ! Reaction index: Chemkin #1653; RMG #11588 ! PDep reaction: PDepNetwork #300 ! Flux pairs: C2H2O(192), CH2CO(45); H(5), H(5); H(5)+C2H2O(192)(+M)=H(5)+CH2CO(45)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 1.118e+01 -5.895e-05 -2.827e-05 -9.828e-06 / CHEB/ -1.086e+00 5.178e-05 2.483e-05 8.632e-06 / CHEB/ -2.069e-01 -7.399e-06 -3.548e-06 -1.233e-06 / CHEB/ -5.582e-02 -4.769e-06 -2.287e-06 -7.952e-07 / CHEB/ -1.919e-02 -1.785e-06 -8.563e-07 -2.977e-07 / CHEB/ -7.328e-03 -3.751e-07 -1.799e-07 -6.255e-08 / ! Reaction index: Chemkin #1654; RMG #11586 ! PDep reaction: PDepNetwork #300 ! Flux pairs: H(5), CH3CO(50); C2H2O(192), CH3CO(50); H(5)+C2H2O(192)(+M)=CH3CO(50)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 7.641e+00 9.999e-01 -2.901e-05 -1.008e-05 / CHEB/ -1.585e+00 5.052e-05 2.423e-05 8.422e-06 / CHEB/ -2.905e-01 -8.131e-06 -3.899e-06 -1.355e-06 / CHEB/ -2.294e-02 -5.330e-06 -2.556e-06 -8.887e-07 / CHEB/ 1.955e-02 -2.184e-06 -1.048e-06 -3.642e-07 / CHEB/ 1.009e-02 -6.116e-07 -2.933e-07 -1.020e-07 / ! Reaction index: Chemkin #1655; RMG #11776 ! Template reaction: Disproportionation ! Estimated using template [Y_rad;Cmethyl_Rrad] for rate rule [Y_rad;Cmethyl_COrad] ! Euclidian distance = 1.0 ! Multiplied by reaction path degeneracy 3.0 ! family: Disproportionation C2H2O(192)+CH3CO(50)=CH2CO(45)+CH3CO(50) 2.753723e+12 0.148 -0.202 ! Reaction index: Chemkin #1656; RMG #12117 ! PDep reaction: PDepNetwork #317 ! Flux pairs: CHNO(290), O(6); CHNO(290), HCN(28); CHNO(290)(+M)=O(6)+HCN(28)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 5.399e+00 9.748e-01 -1.151e-02 -3.639e-03 / CHEB/ -2.041e+00 1.627e-02 7.358e-03 2.264e-03 / CHEB/ -5.122e-01 1.959e-03 9.276e-04 3.138e-04 / CHEB/ -1.936e-01 6.494e-04 2.920e-04 8.919e-05 / CHEB/ -7.289e-02 -9.511e-04 -4.174e-04 -1.202e-04 / CHEB/ -4.162e-02 1.157e-03 5.119e-04 1.503e-04 / ! Reaction index: Chemkin #1657; RMG #12116 ! PDep reaction: PDepNetwork #317 ! Flux pairs: CHNO(290), H(5); CHNO(290), NCO(76); CHNO(290)(+M)=H(5)+NCO(76)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 9.693e+00 9.572e-01 -1.928e-02 -5.911e-03 / CHEB/ -2.534e-01 1.756e-02 8.005e-03 2.503e-03 / CHEB/ -6.227e-02 6.060e-03 2.776e-03 8.760e-04 / CHEB/ -1.717e-02 2.542e-03 1.132e-03 3.373e-04 / CHEB/ -6.007e-03 -5.247e-04 -2.127e-04 -4.917e-05 / CHEB/ -5.484e-03 2.102e-03 8.845e-04 2.307e-04 / ! Reaction index: Chemkin #1658; RMG #12115 ! PDep reaction: PDepNetwork #317 ! Flux pairs: CHNO(290), HNCO(74); CHNO(290)(+M)=HNCO(74)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 7.900e+00 1.945e+00 -2.443e-02 -7.346e-03 / CHEB/ -6.298e-01 2.461e-03 1.547e-03 7.379e-04 / CHEB/ -2.764e-01 -1.115e-03 -2.165e-04 1.057e-04 / CHEB/ -1.209e-01 -3.051e-04 -5.861e-06 7.535e-05 / CHEB/ -3.879e-02 -1.285e-03 -4.881e-04 -9.389e-05 / CHEB/ -3.878e-02 2.623e-03 1.117e-03 2.992e-04 / ! Reaction index: Chemkin #1659; RMG #12111 ! PDep reaction: PDepNetwork #317 ! Flux pairs: CHNO(290), CHNO(171); CHNO(290)(+M)=CHNO(171)(+M) 1.000e+00 0.000 0.000 TCHEB/ 298.000 2500.000 / PCHEB/ 0.099 9.869 / CHEB/ 6 4/ CHEB/ 7.529e+00 1.950e+00 -2.224e-02 -6.668e-03 / CHEB/ -2.128e-01 4.544e-03 2.362e-03 9.075e-04 / CHEB/ -1.245e-03 7.288e-04 5.475e-04 2.984e-04 / CHEB/ -4.559e-02 8.271e-04 4.669e-04 1.976e-04 / CHEB/ -3.362e-02 -9.371e-04 -3.562e-04 -6.865e-05 / CHEB/ -6.489e-02 2.845e-03 1.214e-03 3.275e-04 / END