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description: |-
GRI-Mech Version 3.0 7/30/99 CHEMKIN-II format
See README30 file at anonymous FTP site unix.sri.com, directory gri;
WorldWideWeb home page http://www.me.berkeley.edu/gri_mech/ or
through http://www.gri.org , under 'Basic Research',
for additional information, contacts, and disclaimer
Updated webpage at http://combustion.berkeley.edu/gri-mech/version30/text30.html
Modified to add high-temperature thermodynamic polynomials by Joseph
Shepherd at CalTech based on data from McBride et al. in NASA TM-4513
https://ntrs.nasa.gov/search.jsp?R=19940013151
generator: cti2yaml
cantera-version: 2.5.0
date: Wed, 11 Dec 2019 16:59:05 -0500
input-files: [gri30_highT.cti]
units: {length: cm, quantity: mol, activation-energy: cal/mol}
phases:
- name: gri30
thermo: ideal-gas
elements: [O, H, C, N, Ar]
species: [H2, H, O, O2, OH, H2O, HO2, H2O2, C, CH, CH2, CH2(S), CH3, CH4,
CO, CO2, HCO, CH2O, CH2OH, CH3O, CH3OH, C2H, C2H2, C2H3, C2H4, C2H5,
C2H6, HCCO, CH2CO, HCCOH, N, NH, NH2, NH3, NNH, NO, NO2, N2O, HNO, CN,
HCN, H2CN, HCNN, HCNO, HOCN, HNCO, NCO, N2, AR, C3H7, C3H8, CH2CHO,
CH3CHO]
kinetics: gas
reactions: all
transport: mixture-averaged
state:
T: 300.0
P: 1.01325e+05
species:
- name: H2
composition: {H: 2}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
- [2.34433112, 7.98052075e-03, -1.9478151e-05, 2.01572094e-08, -7.37611761e-12,
-917.935173, 0.683010238]
- [2.93286579, 8.26607967e-04, -1.46402335e-07, 1.54100359e-11, -6.88804432e-16,
-813.065597, -1.02432887]
transport:
model: gas
geometry: linear
diameter: 2.92
well-depth: 38.0
polarizability: 0.79
rotational-relaxation: 280.0
note: TPIS78
- name: H
composition: {H: 1}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
- [2.5, 0.0, 0.0, 0.0, 0.0, 2.54736599e+04, -0.446682853]
- [2.50000286, -5.65334214e-09, 3.63251723e-12, -9.1994972e-16, 7.95260746e-20,
2.54736589e+04, -0.446698494]
transport:
model: gas
geometry: atom
diameter: 2.05
well-depth: 145.0
note: L 7/88
- name: O
composition: {O: 1}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
- [3.1682671, -3.27931884e-03, 6.64306396e-06, -6.12806624e-09, 2.11265971e-12,
2.91222592e+04, 2.05193346]
- [2.54363697, -2.73162486e-05, -4.1902952e-09, 4.95481845e-12, -4.79553694e-16,
2.9226012e+04, 4.92229457]
transport:
model: gas
geometry: atom
diameter: 2.75
well-depth: 80.0
note: L 1/90
- name: O2
composition: {O: 2}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
- [3.78245636, -2.99673415e-03, 9.847302e-06, -9.68129508e-09, 3.24372836e-12,
-1063.94356, 3.65767573]
- [3.66096083, 6.56365523e-04, -1.41149485e-07, 2.05797658e-11, -1.29913248e-15,
-1215.97725, 3.41536184]
transport:
model: gas
geometry: linear
diameter: 3.458
well-depth: 107.4
polarizability: 1.6
rotational-relaxation: 3.8
note: TPIS89
- name: OH
composition: {O: 1, H: 1}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
- [3.99201543, -2.40131752e-03, 4.61793841e-06, -3.88113333e-09, 1.3641147e-12,
3615.08056, -0.103925458]
- [2.83864607, 1.10725586e-03, -2.93914978e-07, 4.20524247e-11, -2.42169092e-15,
3943.95852, 5.84452662]
transport:
model: gas
geometry: linear
diameter: 2.75
well-depth: 80.0
note: RUS 78
- name: H2O
composition: {H: 2, O: 1}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
- [4.19864056, -2.0364341e-03, 6.52040211e-06, -5.48797062e-09, 1.77197817e-12,
-3.02937267e+04, -0.849032208]
- [2.67703787, 2.97318329e-03, -7.7376969e-07, 9.44336689e-11, -4.26900959e-15,
-2.98858938e+04, 6.88255571]
transport:
model: gas
geometry: nonlinear
diameter: 2.605
well-depth: 572.4
dipole: 1.844
rotational-relaxation: 4.0
note: L 8/89
- name: HO2
composition: {H: 1, O: 2}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
- [4.30179801, -4.74912051e-03, 2.11582891e-05, -2.42763894e-08, 9.29225124e-12,
294.80804, 3.71666245]
- [4.17228728, 1.88117647e-03, -3.46277408e-07, 1.94657853e-11, 1.76254294e-16,
61.8102964, 2.95767746]
transport:
model: gas
geometry: nonlinear
diameter: 3.458
well-depth: 107.4
rotational-relaxation: 1.0
note: L 5/89
- name: H2O2
composition: {H: 2, O: 2}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
- [4.27611269, -5.42822417e-04, 1.67335701e-05, -2.15770813e-08, 8.62454363e-12,
-1.77542989e+04, 3.43505074]
- [4.57333537, 4.0498407e-03, -1.29479479e-06, 1.9728171e-10, -1.13402846e-14,
-1.80548121e+04, 0.704278488]
transport:
model: gas
geometry: nonlinear
diameter: 3.458
well-depth: 107.4
rotational-relaxation: 3.8
note: L 7/88
- name: C
composition: {C: 1}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
- [2.55423955, -3.21537724e-04, 7.33792245e-07, -7.32234889e-10, 2.66521446e-13,
8.54438832e+04, 4.53130848]
- [2.60558298, -1.95934335e-04, 1.06737219e-07, -1.6423939e-11, 8.18705752e-16,
8.54129443e+04, 4.19238681]
transport:
model: gas
geometry: atom
diameter: 3.298
well-depth: 71.4
note: L11/88
- name: CH
composition: {C: 1, H: 1}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
- [3.48981665, 3.23835541e-04, -1.68899065e-06, 3.16217327e-09, -1.40609067e-12,
7.07972934e+04, 2.08401108]
- [2.52090627, 1.76537235e-03, -4.61475705e-07, 5.92885472e-11, -3.34731962e-15,
7.11314363e+04, 7.40532163]
transport:
model: gas
geometry: linear
diameter: 2.75
well-depth: 80.0
note: TPIS79
- name: CH2
composition: {C: 1, H: 2}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
- [3.74484879, 1.17960823e-03, 1.94502264e-06, -2.52932506e-09, 1.12447631e-12,
4.55799523e+04, 1.62850125]
- [2.77723166, 3.83663476e-03, -1.3485322e-06, 2.11641255e-10, -1.23445662e-14,
4.58590304e+04, 6.67286429]
transport:
model: gas
geometry: linear
diameter: 3.8
well-depth: 144.0
note: L S/93
- name: CH2(S)
composition: {C: 1, H: 2}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
- [4.19331325, -2.33105184e-03, 8.15676451e-06, -6.62985981e-09, 1.93233199e-12,
5.03662246e+04, -0.74673431]
- [3.13501686, 2.89593926e-03, -8.1666809e-07, 1.13572697e-10, -6.36262835e-15,
5.05040504e+04, 4.06030621]
transport:
model: gas
geometry: linear
diameter: 3.8
well-depth: 144.0
note: L S/93
- name: CH3
composition: {C: 1, H: 3}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
- [3.6735904, 2.01095175e-03, 5.73021856e-06, -6.87117425e-09, 2.54385734e-12,
1.64449988e+04, 1.60456433]
- [2.96866033, 5.80717546e-03, -1.97778534e-06, 3.07278752e-10, -1.78853897e-14,
1.65388869e+04, 4.77944503]
transport:
model: gas
geometry: linear
diameter: 3.8
well-depth: 144.0
note: L11/89
- name: CH4
composition: {C: 1, H: 4}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
- [5.14987613, -0.0136709788, 4.91800599e-05, -4.84743026e-08, 1.66693956e-11,
-1.02466476e+04, -4.64130376]
- [1.63552643, 0.0100842795, -3.36916254e-06, 5.34958667e-10, -3.15518833e-14,
-1.00056455e+04, 9.99313326]
transport:
model: gas
geometry: nonlinear
diameter: 3.746
well-depth: 141.4
polarizability: 2.6
rotational-relaxation: 13.0
note: L 8/88
- name: CO
composition: {C: 1, O: 1}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
- [3.57953347, -6.1035368e-04, 1.01681433e-06, 9.07005884e-10, -9.04424499e-13,
-1.4344086e+04, 3.50840928]
- [3.04848583, 1.35172818e-03, -4.85794075e-07, 7.88536486e-11, -4.69807489e-15,
-1.42661171e+04, 6.0170979]
transport:
model: gas
geometry: linear
diameter: 3.65
well-depth: 98.1
polarizability: 1.95
rotational-relaxation: 1.8
note: TPIS79
- name: CO2
composition: {C: 1, O: 2}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
- [2.35677352, 8.98459677e-03, -7.12356269e-06, 2.45919022e-09, -1.43699548e-13,
-4.83719697e+04, 9.90105222]
- [4.63659493, 2.74131991e-03, -9.95828531e-07, 1.60373011e-10, -9.16103468e-15,
-4.90249341e+04, -1.93534855]
transport:
model: gas
geometry: linear
diameter: 3.763
well-depth: 244.0
polarizability: 2.65
rotational-relaxation: 2.1
note: L 7/88
- name: HCO
composition: {H: 1, C: 1, O: 1}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
- [4.22118584, -3.24392532e-03, 1.37799446e-05, -1.33144093e-08, 4.33768865e-12,
3839.56496, 3.39437243]
- [3.64896209, 3.08090819e-03, -1.12429876e-06, 1.86308085e-10, -1.13951828e-14,
3712.09048, 5.06147406]
transport:
model: gas
geometry: nonlinear
diameter: 3.59
well-depth: 498.0
note: L12/89
- name: CH2O
composition: {H: 2, C: 1, O: 1}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
- [4.79372315, -9.90833369e-03, 3.73220008e-05, -3.79285261e-08, 1.31772652e-11,
-1.43089567e+04, 0.6028129]
- [3.16952654, 6.19320583e-03, -2.25056377e-06, 3.6597568e-10, -2.2014947e-14,
-1.44784444e+04, 6.04209449]
transport:
model: gas
geometry: nonlinear
diameter: 3.59
well-depth: 498.0
rotational-relaxation: 2.0
note: L 8/88
- name: CH2OH
composition: {C: 1, H: 3, O: 1}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
- [3.86388918, 5.59672304e-03, 5.93271791e-06, -1.04532012e-08, 4.36967278e-12,
-2505.01367, 5.47302243]
- [4.67625639, 6.56406014e-03, -2.26525471e-06, 3.55602481e-10, -2.0862619e-14,
-2892.48574, 0.487737005]
transport:
model: gas
geometry: nonlinear
diameter: 3.69
well-depth: 417.0
dipole: 1.7
rotational-relaxation: 2.0
note: GUNL93
- name: CH3O
composition: {C: 1, H: 3, O: 1}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
- [3.26524894, 3.30300117e-03, 1.70493964e-05, -2.27104476e-08, 8.8075652e-12,
333.281488, 7.4256804]
- [4.26676538, 7.8538011e-03, -2.83739943e-06, 4.59039659e-10, -2.74426084e-14,
-340.073227, 0.385637447]
transport:
model: gas
geometry: nonlinear
diameter: 3.69
well-depth: 417.0
dipole: 1.7
rotational-relaxation: 2.0
note: '121686'
- name: CH3OH
composition: {C: 1, H: 4, O: 1}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
- [5.71539582, -0.0152309129, 6.52441155e-05, -7.10806889e-08, 2.61352698e-11,
-2.56427656e+04, -1.50409823]
- [3.60134486, 0.0102430954, -3.59985517e-06, 5.72505986e-10, -3.3911764e-14,
-2.5997191e+04, 4.70512253]
transport:
model: gas
geometry: nonlinear
diameter: 3.626
well-depth: 481.8
rotational-relaxation: 1.0
note: L 8/88
- name: C2H
composition: {C: 2, H: 1}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
- [2.88965733, 0.0134099611, -2.84769501e-05, 2.94791045e-08, -1.09331511e-11,
6.68393932e+04, 6.22296438]
- [3.36118395, 4.38989724e-03, -1.62772218e-06, 2.60556663e-10, -1.52939305e-14,
6.70492214e+04, 5.57127542]
transport:
model: gas
geometry: linear
diameter: 4.1
well-depth: 209.0
rotational-relaxation: 2.5
note: L 1/91
- name: C2H2
composition: {C: 2, H: 2}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
- [0.808681094, 0.0233615629, -3.55171815e-05, 2.80152437e-08, -8.50072974e-12,
2.64289807e+04, 13.9397051]
- [4.65878504, 4.88396547e-03, -1.60828775e-06, 2.46974226e-10, -1.3860568e-14,
2.57594044e+04, -3.99834772]
transport:
model: gas
geometry: linear
diameter: 4.1
well-depth: 209.0
rotational-relaxation: 2.5
note: L 1/91
- name: C2H3
composition: {C: 2, H: 3}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
- [3.21246645, 1.51479162e-03, 2.59209412e-05, -3.57657847e-08, 1.47150873e-11,
3.48598468e+04, 8.51054025]
- [4.35105055, 7.49330091e-03, -2.64314586e-06, 4.21285906e-10, -2.49896119e-14,
3.41546181e+04, 0.571676529]
transport:
model: gas
geometry: nonlinear
diameter: 4.1
well-depth: 209.0
rotational-relaxation: 1.0
note: L 2/92
- name: C2H4
composition: {C: 2, H: 4}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
- [3.95920148, -7.57052247e-03, 5.70990292e-05, -6.91588753e-08, 2.69884373e-11,
5089.77593, 4.09733096]
- [3.99182761, 0.010483391, -3.71721385e-06, 5.94628514e-10, -3.53630526e-14,
4268.65819, -0.269052151]
transport:
model: gas
geometry: nonlinear
diameter: 3.971
well-depth: 280.8
rotational-relaxation: 1.5
note: L 1/91
- name: C2H5
composition: {C: 2, H: 5}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
- [4.30646568, -4.18658892e-03, 4.97142807e-05, -5.99126606e-08, 2.30509004e-11,
1.28416265e+04, 4.70720924]
- [4.28800535, 0.0124337374, -4.41383829e-06, 7.06526943e-10, -4.20341856e-14,
1.205642e+04, 0.845299623]
transport:
model: gas
geometry: nonlinear
diameter: 4.302
well-depth: 252.3
rotational-relaxation: 1.5
note: L12/92
- name: C2H6
composition: {C: 2, H: 6}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
- [4.29142492, -5.5015427e-03, 5.99438288e-05, -7.08466285e-08, 2.68685771e-11,
-1.15222055e+04, 2.66682316]
- [4.04666674, 0.0153538766, -5.47039321e-06, 8.77826228e-10, -5.23167305e-14,
-1.24473512e+04, -0.968683607]
transport:
model: gas
geometry: nonlinear
diameter: 4.302
well-depth: 252.3
rotational-relaxation: 1.5
note: L 8/88
- name: HCCO
composition: {H: 1, C: 2, O: 1}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 6000.0]
data:
- [2.2517214, 0.017655021, -2.3729101e-05, 1.7275759e-08, -5.0664811e-12,
2.0059449e+04, 12.490417]
- [5.6282058, 4.0853401e-03, -1.5934547e-06, 2.8626052e-10, -1.9407832e-14,
1.9327215e+04, -3.9302595]
transport:
model: gas
geometry: nonlinear
diameter: 2.5
well-depth: 150.0
rotational-relaxation: 1.0
note: SRIC91
- name: CH2CO
composition: {C: 2, H: 2, O: 1}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
- [2.1358363, 0.0181188721, -1.73947474e-05, 9.34397568e-09, -2.01457615e-12,
-7042.91804, 12.215648]
- [5.75793307, 6.34911413e-03, -2.25814835e-06, 3.62026733e-10, -2.15651204e-14,
-7978.78384, -6.1077215]
transport:
model: gas
geometry: nonlinear
diameter: 3.97
well-depth: 436.0
rotational-relaxation: 2.0
note: L 5/90
- name: HCCOH
composition: {C: 2, O: 1, H: 2}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 5000.0]
data:
- [1.2423733, 0.031072201, -5.0866864e-05, 4.3137131e-08, -1.4014594e-11,
8031.6143, 13.874319]
- [5.9238291, 6.79236e-03, -2.5658564e-06, 4.4987841e-10, -2.9940101e-14,
7264.626, -7.6017742]
transport:
model: gas
geometry: nonlinear
diameter: 3.97
well-depth: 436.0
rotational-relaxation: 2.0
note: SRI91
- name: N
composition: {N: 1}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
- [2.5, 0.0, 0.0, 0.0, 0.0, 5.6104637e+04, 4.1939087]
- [2.4159429, 1.7489065e-04, -1.1902369e-07, 3.0226245e-11, -2.0360982e-15,
5.6133773e+04, 4.6496096]
transport:
model: gas
geometry: atom
diameter: 3.298
well-depth: 71.4
note: L 6/88
- name: NH
composition: {N: 1, H: 1}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
- [3.4929085, 3.1179198e-04, -1.4890484e-06, 2.4816442e-09, -1.0356967e-12,
4.1880629e+04, 1.8483278]
- [2.7836928, 1.329843e-03, -4.2478047e-07, 7.8348501e-11, -5.504447e-15,
4.2120848e+04, 5.7407799]
transport:
model: gas
geometry: linear
diameter: 2.65
well-depth: 80.0
rotational-relaxation: 4.0
note: And94
- name: NH2
composition: {N: 1, H: 2}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
- [4.2040029, -2.1061385e-03, 7.1068348e-06, -5.6115197e-09, 1.6440717e-12,
2.188591e+04, -0.14184248]
- [2.8347421, 3.2073082e-03, -9.3390804e-07, 1.3702953e-10, -7.9206144e-15,
2.2171957e+04, 6.5204163]
transport:
model: gas
geometry: nonlinear
diameter: 2.65
well-depth: 80.0
polarizability: 2.26
rotational-relaxation: 4.0
note: And89
- name: NH3
composition: {N: 1, H: 3}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
- [4.2860274, -4.660523e-03, 2.1718513e-05, -2.2808887e-08, 8.2638046e-12,
-6741.7285, -0.62537277]
- [2.6344521, 5.666256e-03, -1.7278676e-06, 2.3867161e-10, -1.2578786e-14,
-6544.6958, 6.5662928]
transport:
model: gas
geometry: nonlinear
diameter: 2.92
well-depth: 481.0
dipole: 1.47
rotational-relaxation: 10.0
note: J 6/77
- name: NNH
composition: {N: 2, H: 1}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
- [4.3446927, -4.8497072e-03, 2.0059459e-05, -2.1726464e-08, 7.9469539e-12,
2.8791973e+04, 2.977941]
- [3.7667544, 2.8915082e-03, -1.041662e-06, 1.6842594e-10, -1.0091896e-14,
2.8650697e+04, 4.4705067]
transport:
model: gas
geometry: nonlinear
diameter: 3.798
well-depth: 71.4
rotational-relaxation: 1.0
note: T07/93
- name: NO
composition: {N: 1, O: 1}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
- [4.2184763, -4.638976e-03, 1.1041022e-05, -9.3361354e-09, 2.803577e-12,
9844.623, 2.2808464]
- [3.2606056, 1.1911043e-03, -4.2917048e-07, 6.9457669e-11, -4.0336099e-15,
9920.9746, 6.3693027]
transport:
model: gas
geometry: linear
diameter: 3.621
well-depth: 97.53
polarizability: 1.76
rotational-relaxation: 4.0
note: RUS 78
- name: NO2
composition: {N: 1, O: 2}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
- [3.9440312, -1.585429e-03, 1.6657812e-05, -2.0475426e-08, 7.8350564e-12,
2896.6179, 6.3119917]
- [4.8847542, 2.1723956e-03, -8.2806906e-07, 1.574751e-10, -1.0510895e-14,
2316.4983, -0.11741695]
transport:
model: gas
geometry: nonlinear
diameter: 3.5
well-depth: 200.0
rotational-relaxation: 1.0
note: L 7/88
- name: N2O
composition: {N: 2, O: 1}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
- [2.2571502, 0.011304728, -1.3671319e-05, 9.6819806e-09, -2.9307182e-12,
8741.7744, 10.757992]
- [4.8230729, 2.6270251e-03, -9.5850874e-07, 1.6000712e-10, -9.7752303e-15,
8073.4048, -2.2017207]
transport:
model: gas
geometry: linear
diameter: 3.828
well-depth: 232.4
rotational-relaxation: 1.0
note: L 7/88
- name: HNO
composition: {H: 1, N: 1, O: 1}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
- [4.5334916, -5.6696171e-03, 1.8473207e-05, -1.7137094e-08, 5.5454573e-12,
1.1548297e+04, 1.7498417]
- [2.9792509, 3.4944059e-03, -7.8549778e-07, 5.7479594e-11, -1.9335916e-16,
1.1750582e+04, 8.6063728]
transport:
model: gas
geometry: nonlinear
diameter: 3.492
well-depth: 116.7
rotational-relaxation: 1.0
note: And93
- name: CN
composition: {C: 1, N: 1}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
- [3.6129351, -9.5551327e-04, 2.1442977e-06, -3.1516323e-10, -4.6430356e-13,
5.170834e+04, 3.9804995]
- [3.7459805, 4.3450775e-05, 2.9705984e-07, -6.8651806e-11, 4.4134173e-15,
5.1536188e+04, 2.7867601]
transport:
model: gas
geometry: linear
diameter: 3.856
well-depth: 75.0
rotational-relaxation: 1.0
note: HBH92
- name: HCN
composition: {H: 1, C: 1, N: 1}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
- [2.2589886, 0.01005117, -1.3351763e-05, 1.0092349e-08, -3.0089028e-12,
1.4712633e+04, 8.9164419]
- [3.8022392, 3.1464228e-03, -1.0632185e-06, 1.6619757e-10, -9.799757e-15,
1.4407292e+04, 1.5754601]
transport:
model: gas
geometry: linear
diameter: 3.63
well-depth: 569.0
rotational-relaxation: 1.0
note: GRI/98
- name: H2CN
composition: {H: 2, C: 1, N: 1}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 6000.0]
data:
- [2.851661, 5.6952331e-03, 1.07114e-06, -1.622612e-09, -2.3511081e-13,
2.863782e+04, 8.9927511]
- [5.209703, 2.9692911e-03, -2.8555891e-07, -1.63555e-10, 3.0432589e-14,
2.7677109e+04, -4.444478]
transport:
model: gas
geometry: linear
diameter: 3.63
well-depth: 569.0
rotational-relaxation: 1.0
note: '41687'
- name: HCNN
composition: {C: 1, N: 2, H: 1}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 5000.0]
data:
- [2.5243194, 0.015960619, -1.8816354e-05, 1.212554e-08, -3.2357378e-12,
5.4261984e+04, 11.67587]
- [5.8946362, 3.9895959e-03, -1.598238e-06, 2.9249395e-10, -2.0094686e-14,
5.3452941e+04, -5.1030502]
transport:
model: gas
geometry: nonlinear
diameter: 2.5
well-depth: 150.0
rotational-relaxation: 1.0
note: SRI/94
- name: HCNO
composition: {H: 1, N: 1, C: 1, O: 1}
thermo:
model: NASA7
temperature-ranges: [300.0, 1382.0, 5000.0]
data:
- [2.64727989, 0.0127505342, -1.04794236e-05, 4.41432836e-09, -7.57521466e-13,
1.92990252e+04, 10.7332972]
- [6.59860456, 3.02778626e-03, -1.07704346e-06, 1.71666528e-10, -1.01439391e-14,
1.79661339e+04, -10.3306599]
transport:
model: gas
geometry: nonlinear
diameter: 3.828
well-depth: 232.4
rotational-relaxation: 1.0
note: BDEA94
- name: HOCN
composition: {H: 1, N: 1, C: 1, O: 1}
thermo:
model: NASA7
temperature-ranges: [300.0, 1368.0, 5000.0]
data:
- [3.78604952, 6.88667922e-03, -3.21487864e-06, 5.17195767e-10, 1.19360788e-14,
-2826.984, 5.63292162]
- [5.89784885, 3.16789393e-03, -1.11801064e-06, 1.77243144e-10, -1.04339177e-14,
-3706.53331, -6.18167825]
transport:
model: gas
geometry: nonlinear
diameter: 3.828
well-depth: 232.4
rotational-relaxation: 1.0
note: BDEA94
- name: HNCO
composition: {H: 1, N: 1, C: 1, O: 1}
thermo:
model: NASA7
temperature-ranges: [300.0, 1478.0, 5000.0]
data:
- [3.63096317, 7.30282357e-03, -2.28050003e-06, -6.61271298e-10, 3.62235752e-13,
-1.55873636e+04, 6.19457727]
- [6.22395134, 3.17864004e-03, -1.09378755e-06, 1.70735163e-10, -9.95021955e-15,
-1.66599344e+04, -8.38224741]
transport:
model: gas
geometry: nonlinear
diameter: 3.828
well-depth: 232.4
rotational-relaxation: 1.0
note: BDEA94
- name: NCO
composition: {N: 1, C: 1, O: 1}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
- [2.8269308, 8.8051688e-03, -8.3866134e-06, 4.8016964e-09, -1.3313595e-12,
1.4682477e+04, 9.5504646]
- [5.1521845, 2.3051761e-03, -8.8033153e-07, 1.4789098e-10, -9.0977996e-15,
1.4004123e+04, -2.544266]
transport:
model: gas
geometry: linear
diameter: 3.828
well-depth: 232.4
rotational-relaxation: 1.0
note: EA 93
- name: N2
composition: {N: 2}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 5000.0]
data:
- [3.298677, 1.4082404e-03, -3.963222e-06, 5.641515e-09, -2.444854e-12,
-1020.8999, 3.950372]
- [2.92664, 1.4879768e-03, -5.68476e-07, 1.0097038e-10, -6.753351e-15,
-922.7977, 5.980528]
transport:
model: gas
geometry: linear
diameter: 3.621
well-depth: 97.53
polarizability: 1.76
rotational-relaxation: 4.0
note: '121286'
- name: AR
composition: {Ar: 1}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 5000.0]
data:
- [2.5, 0.0, 0.0, 0.0, 0.0, -745.375, 4.366]
- [2.5, 0.0, 0.0, 0.0, 0.0, -745.375, 4.366]
transport:
model: gas
geometry: atom
diameter: 3.33
well-depth: 136.5
note: '120186'
- name: C3H7
composition: {C: 3, H: 7}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 5000.0]
data:
- [1.0515518, 0.02599198, 2.380054e-06, -1.9609569e-08, 9.373247e-12,
1.0631863e+04, 21.122559]
- [7.7026987, 0.016044203, -5.283322e-06, 7.629859e-10, -3.9392284e-14,
8298.4336, -15.48018]
transport:
model: gas
geometry: nonlinear
diameter: 4.982
well-depth: 266.8
rotational-relaxation: 1.0
note: L 9/84
- name: C3H8
composition: {C: 3, H: 8}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 5000.0]
data:
- [0.93355381, 0.026424579, 6.1059727e-06, -2.1977499e-08, 9.5149253e-12,
-1.395852e+04, 19.201691]
- [7.5341368, 0.018872239, -6.2718491e-06, 9.1475649e-10, -4.7838069e-14,
-1.6467516e+04, -17.892349]
transport:
model: gas
geometry: nonlinear
diameter: 4.982
well-depth: 266.8
rotational-relaxation: 1.0
note: L 4/85
- name: CH2CHO
composition: {O: 1, H: 3, C: 2}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 5000.0]
data:
- [3.409062, 0.010738574, 1.891492e-06, -7.158583e-09, 2.867385e-12,
1521.4766, 9.55829]
- [5.97567, 8.130591e-03, -2.743624e-06, 4.070304e-10, -2.176017e-14,
490.3218, -5.045251]
transport:
model: gas
geometry: nonlinear
diameter: 3.97
well-depth: 436.0
rotational-relaxation: 2.0
note: SAND86
- name: CH3CHO
composition: {C: 2, H: 4, O: 1}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
- [4.7294595, -3.1932858e-03, 4.7534921e-05, -5.7458611e-08, 2.1931112e-11,
-2.1572878e+04, 4.1030159]
- [5.4041108, 0.011723059, -4.2263137e-06, 6.8372451e-10, -4.0984863e-14,
-2.2593122e+04, -3.4807917]
transport:
model: gas
geometry: nonlinear
diameter: 3.97
well-depth: 436.0
rotational-relaxation: 2.0
note: L 8/88
reactions:
- equation: 2 O + M <=> O2 + M # Reaction 1
type: three-body
rate-constant: {A: 1.2e+17, b: -1, Ea: 0}
efficiencies: {AR: 0.83, C2H6: 3, CH4: 2, CO: 1.75, CO2: 3.6, H2: 2.4,
H2O: 15.4}
- equation: O + H + M <=> OH + M # Reaction 2
type: three-body
rate-constant: {A: 5.0e+17, b: -1, Ea: 0}
efficiencies: {AR: 0.7, C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6}
- equation: O + H2 <=> H + OH # Reaction 3
rate-constant: {A: 3.87e+04, b: 2.7, Ea: 6260}
- equation: O + HO2 <=> OH + O2 # Reaction 4
rate-constant: {A: 2.0e+13, b: 0, Ea: 0}
- equation: O + H2O2 <=> OH + HO2 # Reaction 5
rate-constant: {A: 9.63e+06, b: 2, Ea: 4000}
- equation: O + CH <=> H + CO # Reaction 6
rate-constant: {A: 5.7e+13, b: 0, Ea: 0}
- equation: O + CH2 <=> H + HCO # Reaction 7
rate-constant: {A: 8.0e+13, b: 0, Ea: 0}
- equation: O + CH2(S) <=> H2 + CO # Reaction 8
rate-constant: {A: 1.5e+13, b: 0, Ea: 0}
- equation: O + CH2(S) <=> H + HCO # Reaction 9
rate-constant: {A: 1.5e+13, b: 0, Ea: 0}
- equation: O + CH3 <=> H + CH2O # Reaction 10
rate-constant: {A: 5.06e+13, b: 0, Ea: 0}
- equation: O + CH4 <=> OH + CH3 # Reaction 11
rate-constant: {A: 1.02e+09, b: 1.5, Ea: 8600}
- equation: O + CO (+ M) <=> CO2 (+ M) # Reaction 12
type: falloff
low-P-rate-constant: {A: 6.02e+14, b: 0, Ea: 3000}
high-P-rate-constant: {A: 1.8e+10, b: 0, Ea: 2385}
efficiencies: {AR: 0.5, C2H6: 3, CH4: 2, CO: 1.5, CO2: 3.5, H2: 2, H2O: 6,
O2: 6}
- equation: O + HCO <=> OH + CO # Reaction 13
rate-constant: {A: 3.0e+13, b: 0, Ea: 0}
- equation: O + HCO <=> H + CO2 # Reaction 14
rate-constant: {A: 3.0e+13, b: 0, Ea: 0}
- equation: O + CH2O <=> OH + HCO # Reaction 15
rate-constant: {A: 3.9e+13, b: 0, Ea: 3540}
- equation: O + CH2OH <=> OH + CH2O # Reaction 16
rate-constant: {A: 1.0e+13, b: 0, Ea: 0}
- equation: O + CH3O <=> OH + CH2O # Reaction 17
rate-constant: {A: 1.0e+13, b: 0, Ea: 0}
- equation: O + CH3OH <=> OH + CH2OH # Reaction 18
rate-constant: {A: 3.88e+05, b: 2.5, Ea: 3100}
- equation: O + CH3OH <=> OH + CH3O # Reaction 19
rate-constant: {A: 1.3e+05, b: 2.5, Ea: 5000}
- equation: O + C2H <=> CH + CO # Reaction 20
rate-constant: {A: 5.0e+13, b: 0, Ea: 0}
- equation: O + C2H2 <=> H + HCCO # Reaction 21
rate-constant: {A: 1.35e+07, b: 2, Ea: 1900}
- equation: O + C2H2 <=> OH + C2H # Reaction 22
rate-constant: {A: 4.6e+19, b: -1.41, Ea: 28950}
- equation: O + C2H2 <=> CO + CH2 # Reaction 23
rate-constant: {A: 6.94e+06, b: 2, Ea: 1900}
- equation: O + C2H3 <=> H + CH2CO # Reaction 24
rate-constant: {A: 3.0e+13, b: 0, Ea: 0}
- equation: O + C2H4 <=> CH3 + HCO # Reaction 25
rate-constant: {A: 1.25e+07, b: 1.83, Ea: 220}
- equation: O + C2H5 <=> CH3 + CH2O # Reaction 26
rate-constant: {A: 2.24e+13, b: 0, Ea: 0}
- equation: O + C2H6 <=> OH + C2H5 # Reaction 27
rate-constant: {A: 8.98e+07, b: 1.92, Ea: 5690}
- equation: O + HCCO <=> H + 2 CO # Reaction 28
rate-constant: {A: 1.0e+14, b: 0, Ea: 0}
- equation: O + CH2CO <=> OH + HCCO # Reaction 29
rate-constant: {A: 1.0e+13, b: 0, Ea: 8000}
- equation: O + CH2CO <=> CH2 + CO2 # Reaction 30
rate-constant: {A: 1.75e+12, b: 0, Ea: 1350}
- equation: O2 + CO <=> O + CO2 # Reaction 31
rate-constant: {A: 2.5e+12, b: 0, Ea: 47800}
- equation: O2 + CH2O <=> HO2 + HCO # Reaction 32
rate-constant: {A: 1.0e+14, b: 0, Ea: 40000}
- equation: H + O2 + M <=> HO2 + M # Reaction 33
type: three-body
rate-constant: {A: 2.8e+18, b: -0.86, Ea: 0}
efficiencies: {AR: 0, C2H6: 1.5, CO: 0.75, CO2: 1.5, H2O: 0, N2: 0, O2: 0}
- equation: H + 2 O2 <=> HO2 + O2 # Reaction 34
rate-constant: {A: 2.08e+19, b: -1.24, Ea: 0}
- equation: H + O2 + H2O <=> HO2 + H2O # Reaction 35
rate-constant: {A: 1.126e+19, b: -0.76, Ea: 0}
- equation: H + O2 + N2 <=> HO2 + N2 # Reaction 36
rate-constant: {A: 2.6e+19, b: -1.24, Ea: 0}
- equation: H + O2 + AR <=> HO2 + AR # Reaction 37
rate-constant: {A: 7.0e+17, b: -0.8, Ea: 0}
- equation: H + O2 <=> O + OH # Reaction 38
rate-constant: {A: 2.65e+16, b: -0.6707, Ea: 17041}
- equation: 2 H + M <=> H2 + M # Reaction 39
type: three-body
rate-constant: {A: 1.0e+18, b: -1, Ea: 0}
efficiencies: {AR: 0.63, C2H6: 3, CH4: 2, CO2: 0, H2: 0, H2O: 0}
- equation: 2 H + H2 <=> 2 H2 # Reaction 40
rate-constant: {A: 9.0e+16, b: -0.6, Ea: 0}
- equation: 2 H + H2O <=> H2 + H2O # Reaction 41
rate-constant: {A: 6.0e+19, b: -1.25, Ea: 0}
- equation: 2 H + CO2 <=> H2 + CO2 # Reaction 42
rate-constant: {A: 5.5e+20, b: -2, Ea: 0}
- equation: H + OH + M <=> H2O + M # Reaction 43
type: three-body
rate-constant: {A: 2.2e+22, b: -2, Ea: 0}
efficiencies: {AR: 0.38, C2H6: 3, CH4: 2, H2: 0.73, H2O: 3.65}
- equation: H + HO2 <=> O + H2O # Reaction 44
rate-constant: {A: 3.97e+12, b: 0, Ea: 671}
- equation: H + HO2 <=> O2 + H2 # Reaction 45
rate-constant: {A: 4.48e+13, b: 0, Ea: 1068}
- equation: H + HO2 <=> 2 OH # Reaction 46
rate-constant: {A: 8.4e+13, b: 0, Ea: 635}
- equation: H + H2O2 <=> HO2 + H2 # Reaction 47
rate-constant: {A: 1.21e+07, b: 2, Ea: 5200}
- equation: H + H2O2 <=> OH + H2O # Reaction 48
rate-constant: {A: 1.0e+13, b: 0, Ea: 3600}
- equation: H + CH <=> C + H2 # Reaction 49
rate-constant: {A: 1.65e+14, b: 0, Ea: 0}
- equation: H + CH2 (+ M) <=> CH3 (+ M) # Reaction 50
type: falloff
low-P-rate-constant: {A: 1.04e+26, b: -2.76, Ea: 1600}
high-P-rate-constant: {A: 6.0e+14, b: 0, Ea: 0}
Troe: {A: 0.562, T3: 91, T1: 5836, T2: 8552}
efficiencies: {AR: 0.7, C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6}
- equation: H + CH2(S) <=> CH + H2 # Reaction 51
rate-constant: {A: 3.0e+13, b: 0, Ea: 0}
- equation: H + CH3 (+ M) <=> CH4 (+ M) # Reaction 52
type: falloff
low-P-rate-constant: {A: 2.62e+33, b: -4.76, Ea: 2440}
high-P-rate-constant: {A: 1.39e+16, b: -0.534, Ea: 536}
Troe: {A: 0.783, T3: 74, T1: 2941, T2: 6964}
efficiencies: {AR: 0.7, C2H6: 3, CH4: 3, CO: 1.5, CO2: 2, H2: 2, H2O: 6}
- equation: H + CH4 <=> CH3 + H2 # Reaction 53
rate-constant: {A: 6.6e+08, b: 1.62, Ea: 10840}
- equation: H + HCO (+ M) <=> CH2O (+ M) # Reaction 54
type: falloff
low-P-rate-constant: {A: 2.47e+24, b: -2.57, Ea: 425}
high-P-rate-constant: {A: 1.09e+12, b: 0.48, Ea: -260}
Troe: {A: 0.7824, T3: 271, T1: 2755, T2: 6570}
efficiencies: {AR: 0.7, C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6}
- equation: H + HCO <=> H2 + CO # Reaction 55
rate-constant: {A: 7.34e+13, b: 0, Ea: 0}
- equation: H + CH2O (+ M) <=> CH2OH (+ M) # Reaction 56
type: falloff
low-P-rate-constant: {A: 1.27e+32, b: -4.82, Ea: 6530}
high-P-rate-constant: {A: 5.4e+11, b: 0.454, Ea: 3600}
Troe: {A: 0.7187, T3: 103, T1: 1291, T2: 4160}
efficiencies: {C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6}
- equation: H + CH2O (+ M) <=> CH3O (+ M) # Reaction 57
type: falloff
low-P-rate-constant: {A: 2.2e+30, b: -4.8, Ea: 5560}
high-P-rate-constant: {A: 5.4e+11, b: 0.454, Ea: 2600}
Troe: {A: 0.758, T3: 94, T1: 1555, T2: 4200}
efficiencies: {C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6}
- equation: H + CH2O <=> HCO + H2 # Reaction 58
rate-constant: {A: 5.74e+07, b: 1.9, Ea: 2742}
- equation: H + CH2OH (+ M) <=> CH3OH (+ M) # Reaction 59
type: falloff
low-P-rate-constant: {A: 4.36e+31, b: -4.65, Ea: 5080}
high-P-rate-constant: {A: 1.055e+12, b: 0.5, Ea: 86}
Troe: {A: 0.6, T3: 100, T1: 90000, T2: 10000}
efficiencies: {C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6}
- equation: H + CH2OH <=> H2 + CH2O # Reaction 60
rate-constant: {A: 2.0e+13, b: 0, Ea: 0}
- equation: H + CH2OH <=> OH + CH3 # Reaction 61
rate-constant: {A: 1.65e+11, b: 0.65, Ea: -284}
- equation: H + CH2OH <=> CH2(S) + H2O # Reaction 62
rate-constant: {A: 3.28e+13, b: -0.09, Ea: 610}
- equation: H + CH3O (+ M) <=> CH3OH (+ M) # Reaction 63
type: falloff
low-P-rate-constant: {A: 4.66e+41, b: -7.44, Ea: 14080}
high-P-rate-constant: {A: 2.43e+12, b: 0.515, Ea: 50}
Troe: {A: 0.7, T3: 100, T1: 90000, T2: 10000}
efficiencies: {C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6}
- equation: H + CH3O <=> H + CH2OH # Reaction 64
rate-constant: {A: 4.15e+07, b: 1.63, Ea: 1924}
- equation: H + CH3O <=> H2 + CH2O # Reaction 65
rate-constant: {A: 2.0e+13, b: 0, Ea: 0}
- equation: H + CH3O <=> OH + CH3 # Reaction 66
rate-constant: {A: 1.5e+12, b: 0.5, Ea: -110}
- equation: H + CH3O <=> CH2(S) + H2O # Reaction 67
rate-constant: {A: 2.62e+14, b: -0.23, Ea: 1070}
- equation: H + CH3OH <=> CH2OH + H2 # Reaction 68
rate-constant: {A: 1.7e+07, b: 2.1, Ea: 4870}
- equation: H + CH3OH <=> CH3O + H2 # Reaction 69
rate-constant: {A: 4.2e+06, b: 2.1, Ea: 4870}
- equation: H + C2H (+ M) <=> C2H2 (+ M) # Reaction 70
type: falloff
low-P-rate-constant: {A: 3.75e+33, b: -4.8, Ea: 1900}
high-P-rate-constant: {A: 1.0e+17, b: -1, Ea: 0}
Troe: {A: 0.6464, T3: 132, T1: 1315, T2: 5566}
efficiencies: {AR: 0.7, C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6}
- equation: H + C2H2 (+ M) <=> C2H3 (+ M) # Reaction 71
type: falloff
low-P-rate-constant: {A: 3.8e+40, b: -7.27, Ea: 7220}
high-P-rate-constant: {A: 5.6e+12, b: 0, Ea: 2400}
Troe: {A: 0.7507, T3: 98.5, T1: 1302, T2: 4167}
efficiencies: {AR: 0.7, C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6}
- equation: H + C2H3 (+ M) <=> C2H4 (+ M) # Reaction 72
type: falloff
low-P-rate-constant: {A: 1.4e+30, b: -3.86, Ea: 3320}
high-P-rate-constant: {A: 6.08e+12, b: 0.27, Ea: 280}
Troe: {A: 0.782, T3: 207.5, T1: 2663, T2: 6095}
efficiencies: {AR: 0.7, C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6}
- equation: H + C2H3 <=> H2 + C2H2 # Reaction 73
rate-constant: {A: 3.0e+13, b: 0, Ea: 0}
- equation: H + C2H4 (+ M) <=> C2H5 (+ M) # Reaction 74
type: falloff
low-P-rate-constant: {A: 6.0e+41, b: -7.62, Ea: 6970}
high-P-rate-constant: {A: 5.4e+11, b: 0.454, Ea: 1820}
Troe: {A: 0.9753, T3: 210, T1: 984, T2: 4374}
efficiencies: {AR: 0.7, C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6}
- equation: H + C2H4 <=> C2H3 + H2 # Reaction 75
rate-constant: {A: 1.325e+06, b: 2.53, Ea: 12240}
- equation: H + C2H5 (+ M) <=> C2H6 (+ M) # Reaction 76
type: falloff
low-P-rate-constant: {A: 1.99e+41, b: -7.08, Ea: 6685}
high-P-rate-constant: {A: 5.21e+17, b: -0.99, Ea: 1580}
Troe: {A: 0.8422, T3: 125, T1: 2219, T2: 6882}
efficiencies: {AR: 0.7, C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6}
- equation: H + C2H5 <=> H2 + C2H4 # Reaction 77
rate-constant: {A: 2.0e+12, b: 0, Ea: 0}
- equation: H + C2H6 <=> C2H5 + H2 # Reaction 78
rate-constant: {A: 1.15e+08, b: 1.9, Ea: 7530}
- equation: H + HCCO <=> CH2(S) + CO # Reaction 79
rate-constant: {A: 1.0e+14, b: 0, Ea: 0}
- equation: H + CH2CO <=> HCCO + H2 # Reaction 80
rate-constant: {A: 5.0e+13, b: 0, Ea: 8000}
- equation: H + CH2CO <=> CH3 + CO # Reaction 81
rate-constant: {A: 1.13e+13, b: 0, Ea: 3428}
- equation: H + HCCOH <=> H + CH2CO # Reaction 82
rate-constant: {A: 1.0e+13, b: 0, Ea: 0}
- equation: H2 + CO (+ M) <=> CH2O (+ M) # Reaction 83
type: falloff
low-P-rate-constant: {A: 5.07e+27, b: -3.42, Ea: 84350}
high-P-rate-constant: {A: 4.3e+07, b: 1.5, Ea: 79600}
Troe: {A: 0.932, T3: 197, T1: 1540, T2: 10300}
efficiencies: {AR: 0.7, C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6}
- equation: OH + H2 <=> H + H2O # Reaction 84
rate-constant: {A: 2.16e+08, b: 1.51, Ea: 3430}
- equation: 2 OH (+ M) <=> H2O2 (+ M) # Reaction 85
type: falloff
low-P-rate-constant: {A: 2.3e+18, b: -0.9, Ea: -1700}
high-P-rate-constant: {A: 7.4e+13, b: -0.37, Ea: 0}
Troe: {A: 0.7346, T3: 94, T1: 1756, T2: 5182}
efficiencies: {AR: 0.7, C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6}
- equation: 2 OH <=> O + H2O # Reaction 86
rate-constant: {A: 3.57e+04, b: 2.4, Ea: -2110}
- equation: OH + HO2 <=> O2 + H2O # Reaction 87
rate-constant: {A: 1.45e+13, b: 0, Ea: -500}
duplicate: true
- equation: OH + H2O2 <=> HO2 + H2O # Reaction 88
rate-constant: {A: 2.0e+12, b: 0, Ea: 427}
duplicate: true
- equation: OH + H2O2 <=> HO2 + H2O # Reaction 89
rate-constant: {A: 1.7e+18, b: 0, Ea: 29410}
duplicate: true
- equation: OH + C <=> H + CO # Reaction 90
rate-constant: {A: 5.0e+13, b: 0, Ea: 0}
- equation: OH + CH <=> H + HCO # Reaction 91
rate-constant: {A: 3.0e+13, b: 0, Ea: 0}
- equation: OH + CH2 <=> H + CH2O # Reaction 92
rate-constant: {A: 2.0e+13, b: 0, Ea: 0}
- equation: OH + CH2 <=> CH + H2O # Reaction 93
rate-constant: {A: 1.13e+07, b: 2, Ea: 3000}
- equation: OH + CH2(S) <=> H + CH2O # Reaction 94
rate-constant: {A: 3.0e+13, b: 0, Ea: 0}
- equation: OH + CH3 (+ M) <=> CH3OH (+ M) # Reaction 95
type: falloff
low-P-rate-constant: {A: 4.0e+36, b: -5.92, Ea: 3140}
high-P-rate-constant: {A: 2.79e+18, b: -1.43, Ea: 1330}
Troe: {A: 0.412, T3: 195, T1: 5900, T2: 6394}
efficiencies: {C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6}
- equation: OH + CH3 <=> CH2 + H2O # Reaction 96
rate-constant: {A: 5.6e+07, b: 1.6, Ea: 5420}
- equation: OH + CH3 <=> CH2(S) + H2O # Reaction 97
rate-constant: {A: 6.44e+17, b: -1.34, Ea: 1417}
- equation: OH + CH4 <=> CH3 + H2O # Reaction 98
rate-constant: {A: 1.0e+08, b: 1.6, Ea: 3120}
- equation: OH + CO <=> H + CO2 # Reaction 99
rate-constant: {A: 4.76e+07, b: 1.228, Ea: 70}
- equation: OH + HCO <=> H2O + CO # Reaction 100
rate-constant: {A: 5.0e+13, b: 0, Ea: 0}
- equation: OH + CH2O <=> HCO + H2O # Reaction 101
rate-constant: {A: 3.43e+09, b: 1.18, Ea: -447}
- equation: OH + CH2OH <=> H2O + CH2O # Reaction 102
rate-constant: {A: 5.0e+12, b: 0, Ea: 0}
- equation: OH + CH3O <=> H2O + CH2O # Reaction 103
rate-constant: {A: 5.0e+12, b: 0, Ea: 0}
- equation: OH + CH3OH <=> CH2OH + H2O # Reaction 104
rate-constant: {A: 1.44e+06, b: 2, Ea: -840}
- equation: OH + CH3OH <=> CH3O + H2O # Reaction 105
rate-constant: {A: 6.3e+06, b: 2, Ea: 1500}
- equation: OH + C2H <=> H + HCCO # Reaction 106
rate-constant: {A: 2.0e+13, b: 0, Ea: 0}
- equation: OH + C2H2 <=> H + CH2CO # Reaction 107
rate-constant: {A: 2.18e-04, b: 4.5, Ea: -1000}
- equation: OH + C2H2 <=> H + HCCOH # Reaction 108
rate-constant: {A: 5.04e+05, b: 2.3, Ea: 13500}
- equation: OH + C2H2 <=> C2H + H2O # Reaction 109
rate-constant: {A: 3.37e+07, b: 2, Ea: 14000}
- equation: OH + C2H2 <=> CH3 + CO # Reaction 110
rate-constant: {A: 4.83e-04, b: 4, Ea: -2000}
- equation: OH + C2H3 <=> H2O + C2H2 # Reaction 111
rate-constant: {A: 5.0e+12, b: 0, Ea: 0}
- equation: OH + C2H4 <=> C2H3 + H2O # Reaction 112
rate-constant: {A: 3.6e+06, b: 2, Ea: 2500}
- equation: OH + C2H6 <=> C2H5 + H2O # Reaction 113
rate-constant: {A: 3.54e+06, b: 2.12, Ea: 870}
- equation: OH + CH2CO <=> HCCO + H2O # Reaction 114
rate-constant: {A: 7.5e+12, b: 0, Ea: 2000}
- equation: 2 HO2 <=> O2 + H2O2 # Reaction 115
rate-constant: {A: 1.3e+11, b: 0, Ea: -1630}
duplicate: true
- equation: 2 HO2 <=> O2 + H2O2 # Reaction 116
rate-constant: {A: 4.2e+14, b: 0, Ea: 12000}
duplicate: true
- equation: HO2 + CH2 <=> OH + CH2O # Reaction 117
rate-constant: {A: 2.0e+13, b: 0, Ea: 0}
- equation: HO2 + CH3 <=> O2 + CH4 # Reaction 118
rate-constant: {A: 1.0e+12, b: 0, Ea: 0}
- equation: HO2 + CH3 <=> OH + CH3O # Reaction 119
rate-constant: {A: 3.78e+13, b: 0, Ea: 0}
- equation: HO2 + CO <=> OH + CO2 # Reaction 120
rate-constant: {A: 1.5e+14, b: 0, Ea: 23600}
- equation: HO2 + CH2O <=> HCO + H2O2 # Reaction 121
rate-constant: {A: 5.6e+06, b: 2, Ea: 12000}
- equation: C + O2 <=> O + CO # Reaction 122
rate-constant: {A: 5.8e+13, b: 0, Ea: 576}
- equation: C + CH2 <=> H + C2H # Reaction 123
rate-constant: {A: 5.0e+13, b: 0, Ea: 0}
- equation: C + CH3 <=> H + C2H2 # Reaction 124
rate-constant: {A: 5.0e+13, b: 0, Ea: 0}
- equation: CH + O2 <=> O + HCO # Reaction 125
rate-constant: {A: 6.71e+13, b: 0, Ea: 0}
- equation: CH + H2 <=> H + CH2 # Reaction 126
rate-constant: {A: 1.08e+14, b: 0, Ea: 3110}
- equation: CH + H2O <=> H + CH2O # Reaction 127
rate-constant: {A: 5.71e+12, b: 0, Ea: -755}
- equation: CH + CH2 <=> H + C2H2 # Reaction 128
rate-constant: {A: 4.0e+13, b: 0, Ea: 0}
- equation: CH + CH3 <=> H + C2H3 # Reaction 129
rate-constant: {A: 3.0e+13, b: 0, Ea: 0}
- equation: CH + CH4 <=> H + C2H4 # Reaction 130
rate-constant: {A: 6.0e+13, b: 0, Ea: 0}
- equation: CH + CO (+ M) <=> HCCO (+ M) # Reaction 131
type: falloff
low-P-rate-constant: {A: 2.69e+28, b: -3.74, Ea: 1936}
high-P-rate-constant: {A: 5.0e+13, b: 0, Ea: 0}
Troe: {A: 0.5757, T3: 237, T1: 1652, T2: 5069}
efficiencies: {AR: 0.7, C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6}
- equation: CH + CO2 <=> HCO + CO # Reaction 132
rate-constant: {A: 1.9e+14, b: 0, Ea: 15792}
- equation: CH + CH2O <=> H + CH2CO # Reaction 133
rate-constant: {A: 9.46e+13, b: 0, Ea: -515}
- equation: CH + HCCO <=> CO + C2H2 # Reaction 134
rate-constant: {A: 5.0e+13, b: 0, Ea: 0}
- equation: CH2 + O2 => OH + H + CO # Reaction 135
rate-constant: {A: 5.0e+12, b: 0, Ea: 1500}
- equation: CH2 + H2 <=> H + CH3 # Reaction 136
rate-constant: {A: 5.0e+05, b: 2, Ea: 7230}
- equation: 2 CH2 <=> H2 + C2H2 # Reaction 137
rate-constant: {A: 1.6e+15, b: 0, Ea: 11944}
- equation: CH2 + CH3 <=> H + C2H4 # Reaction 138
rate-constant: {A: 4.0e+13, b: 0, Ea: 0}
- equation: CH2 + CH4 <=> 2 CH3 # Reaction 139
rate-constant: {A: 2.46e+06, b: 2, Ea: 8270}
- equation: CH2 + CO (+ M) <=> CH2CO (+ M) # Reaction 140
type: falloff
low-P-rate-constant: {A: 2.69e+33, b: -5.11, Ea: 7095}
high-P-rate-constant: {A: 8.1e+11, b: 0.5, Ea: 4510}
Troe: {A: 0.5907, T3: 275, T1: 1226, T2: 5185}
efficiencies: {AR: 0.7, C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6}
- equation: CH2 + HCCO <=> C2H3 + CO # Reaction 141
rate-constant: {A: 3.0e+13, b: 0, Ea: 0}
- equation: CH2(S) + N2 <=> CH2 + N2 # Reaction 142
rate-constant: {A: 1.5e+13, b: 0, Ea: 600}
- equation: CH2(S) + AR <=> CH2 + AR # Reaction 143
rate-constant: {A: 9.0e+12, b: 0, Ea: 600}
- equation: CH2(S) + O2 <=> H + OH + CO # Reaction 144
rate-constant: {A: 2.8e+13, b: 0, Ea: 0}
- equation: CH2(S) + O2 <=> CO + H2O # Reaction 145
rate-constant: {A: 1.2e+13, b: 0, Ea: 0}
- equation: CH2(S) + H2 <=> CH3 + H # Reaction 146
rate-constant: {A: 7.0e+13, b: 0, Ea: 0}
- equation: CH2(S) + H2O (+ M) <=> CH3OH (+ M) # Reaction 147
type: falloff
low-P-rate-constant: {A: 1.88e+38, b: -6.36, Ea: 5040}
high-P-rate-constant: {A: 4.82e+17, b: -1.16, Ea: 1145}
Troe: {A: 0.6027, T3: 208, T1: 3922, T2: 10180}
efficiencies: {C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6}
- equation: CH2(S) + H2O <=> CH2 + H2O # Reaction 148
rate-constant: {A: 3.0e+13, b: 0, Ea: 0}
- equation: CH2(S) + CH3 <=> H + C2H4 # Reaction 149
rate-constant: {A: 1.2e+13, b: 0, Ea: -570}
- equation: CH2(S) + CH4 <=> 2 CH3 # Reaction 150
rate-constant: {A: 1.6e+13, b: 0, Ea: -570}
- equation: CH2(S) + CO <=> CH2 + CO # Reaction 151
rate-constant: {A: 9.0e+12, b: 0, Ea: 0}
- equation: CH2(S) + CO2 <=> CH2 + CO2 # Reaction 152
rate-constant: {A: 7.0e+12, b: 0, Ea: 0}
- equation: CH2(S) + CO2 <=> CO + CH2O # Reaction 153
rate-constant: {A: 1.4e+13, b: 0, Ea: 0}
- equation: CH2(S) + C2H6 <=> CH3 + C2H5 # Reaction 154
rate-constant: {A: 4.0e+13, b: 0, Ea: -550}
- equation: CH3 + O2 <=> O + CH3O # Reaction 155
rate-constant: {A: 3.56e+13, b: 0, Ea: 30480}
- equation: CH3 + O2 <=> OH + CH2O # Reaction 156
rate-constant: {A: 2.31e+12, b: 0, Ea: 20315}
- equation: CH3 + H2O2 <=> HO2 + CH4 # Reaction 157
rate-constant: {A: 2.45e+04, b: 2.47, Ea: 5180}
- equation: 2 CH3 (+ M) <=> C2H6 (+ M) # Reaction 158
type: falloff
low-P-rate-constant: {A: 3.4e+41, b: -7.03, Ea: 2762}
high-P-rate-constant: {A: 6.77e+16, b: -1.18, Ea: 654}
Troe: {A: 0.619, T3: 73.2, T1: 1180, T2: 9999}
efficiencies: {AR: 0.7, C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6}
- equation: 2 CH3 <=> H + C2H5 # Reaction 159
rate-constant: {A: 6.84e+12, b: 0.1, Ea: 10600}
- equation: CH3 + HCO <=> CH4 + CO # Reaction 160
rate-constant: {A: 2.648e+13, b: 0, Ea: 0}
- equation: CH3 + CH2O <=> HCO + CH4 # Reaction 161
rate-constant: {A: 3320.0, b: 2.81, Ea: 5860}
- equation: CH3 + CH3OH <=> CH2OH + CH4 # Reaction 162
rate-constant: {A: 3.0e+07, b: 1.5, Ea: 9940}
- equation: CH3 + CH3OH <=> CH3O + CH4 # Reaction 163
rate-constant: {A: 1.0e+07, b: 1.5, Ea: 9940}
- equation: CH3 + C2H4 <=> C2H3 + CH4 # Reaction 164
rate-constant: {A: 2.27e+05, b: 2, Ea: 9200}
- equation: CH3 + C2H6 <=> C2H5 + CH4 # Reaction 165
rate-constant: {A: 6.14e+06, b: 1.74, Ea: 10450}
- equation: HCO + H2O <=> H + CO + H2O # Reaction 166
rate-constant: {A: 1.5e+18, b: -1, Ea: 17000}
- equation: HCO + M <=> H + CO + M # Reaction 167
type: three-body
rate-constant: {A: 1.87e+17, b: -1, Ea: 17000}
efficiencies: {C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 0}
- equation: HCO + O2 <=> HO2 + CO # Reaction 168
rate-constant: {A: 1.345e+13, b: 0, Ea: 400}
- equation: CH2OH + O2 <=> HO2 + CH2O # Reaction 169
rate-constant: {A: 1.8e+13, b: 0, Ea: 900}
- equation: CH3O + O2 <=> HO2 + CH2O # Reaction 170
rate-constant: {A: 4.28e-13, b: 7.6, Ea: -3530}
- equation: C2H + O2 <=> HCO + CO # Reaction 171
rate-constant: {A: 1.0e+13, b: 0, Ea: -755}
- equation: C2H + H2 <=> H + C2H2 # Reaction 172
rate-constant: {A: 5.68e+10, b: 0.9, Ea: 1993}
- equation: C2H3 + O2 <=> HCO + CH2O # Reaction 173
rate-constant: {A: 4.58e+16, b: -1.39, Ea: 1015}
- equation: C2H4 (+ M) <=> H2 + C2H2 (+ M) # Reaction 174
type: falloff
low-P-rate-constant: {A: 1.58e+51, b: -9.3, Ea: 97800}
high-P-rate-constant: {A: 8.0e+12, b: 0.44, Ea: 86770}
Troe: {A: 0.7345, T3: 180, T1: 1035, T2: 5417}
efficiencies: {AR: 0.7, C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6}
- equation: C2H5 + O2 <=> HO2 + C2H4 # Reaction 175
rate-constant: {A: 8.4e+11, b: 0, Ea: 3875}
- equation: HCCO + O2 <=> OH + 2 CO # Reaction 176
rate-constant: {A: 3.2e+12, b: 0, Ea: 854}
- equation: 2 HCCO <=> 2 CO + C2H2 # Reaction 177
rate-constant: {A: 1.0e+13, b: 0, Ea: 0}
- equation: N + NO <=> N2 + O # Reaction 178
rate-constant: {A: 2.7e+13, b: 0, Ea: 355}
- equation: N + O2 <=> NO + O # Reaction 179
rate-constant: {A: 9.0e+09, b: 1, Ea: 6500}
- equation: N + OH <=> NO + H # Reaction 180
rate-constant: {A: 3.36e+13, b: 0, Ea: 385}
- equation: N2O + O <=> N2 + O2 # Reaction 181
rate-constant: {A: 1.4e+12, b: 0, Ea: 10810}
- equation: N2O + O <=> 2 NO # Reaction 182
rate-constant: {A: 2.9e+13, b: 0, Ea: 23150}
- equation: N2O + H <=> N2 + OH # Reaction 183
rate-constant: {A: 3.87e+14, b: 0, Ea: 18880}
- equation: N2O + OH <=> N2 + HO2 # Reaction 184
rate-constant: {A: 2.0e+12, b: 0, Ea: 21060}
- equation: N2O (+ M) <=> N2 + O (+ M) # Reaction 185
type: falloff
low-P-rate-constant: {A: 6.37e+14, b: 0, Ea: 56640}
high-P-rate-constant: {A: 7.91e+10, b: 0, Ea: 56020}
efficiencies: {AR: 0.625, C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6}
- equation: HO2 + NO <=> NO2 + OH # Reaction 186
rate-constant: {A: 2.11e+12, b: 0, Ea: -480}
- equation: NO + O + M <=> NO2 + M # Reaction 187
type: three-body
rate-constant: {A: 1.06e+20, b: -1.41, Ea: 0}
efficiencies: {AR: 0.7, C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6}
- equation: NO2 + O <=> NO + O2 # Reaction 188
rate-constant: {A: 3.9e+12, b: 0, Ea: -240}
- equation: NO2 + H <=> NO + OH # Reaction 189
rate-constant: {A: 1.32e+14, b: 0, Ea: 360}
- equation: NH + O <=> NO + H # Reaction 190
rate-constant: {A: 4.0e+13, b: 0, Ea: 0}
- equation: NH + H <=> N + H2 # Reaction 191
rate-constant: {A: 3.2e+13, b: 0, Ea: 330}
- equation: NH + OH <=> HNO + H # Reaction 192
rate-constant: {A: 2.0e+13, b: 0, Ea: 0}
- equation: NH + OH <=> N + H2O # Reaction 193
rate-constant: {A: 2.0e+09, b: 1.2, Ea: 0}
- equation: NH + O2 <=> HNO + O # Reaction 194
rate-constant: {A: 4.61e+05, b: 2, Ea: 6500}
- equation: NH + O2 <=> NO + OH # Reaction 195
rate-constant: {A: 1.28e+06, b: 1.5, Ea: 100}
- equation: NH + N <=> N2 + H # Reaction 196
rate-constant: {A: 1.5e+13, b: 0, Ea: 0}
- equation: NH + H2O <=> HNO + H2 # Reaction 197
rate-constant: {A: 2.0e+13, b: 0, Ea: 13850}
- equation: NH + NO <=> N2 + OH # Reaction 198
rate-constant: {A: 2.16e+13, b: -0.23, Ea: 0}
- equation: NH + NO <=> N2O + H # Reaction 199
rate-constant: {A: 3.65e+14, b: -0.45, Ea: 0}
- equation: NH2 + O <=> OH + NH # Reaction 200
rate-constant: {A: 3.0e+12, b: 0, Ea: 0}
- equation: NH2 + O <=> H + HNO # Reaction 201
rate-constant: {A: 3.9e+13, b: 0, Ea: 0}
- equation: NH2 + H <=> NH + H2 # Reaction 202
rate-constant: {A: 4.0e+13, b: 0, Ea: 3650}
- equation: NH2 + OH <=> NH + H2O # Reaction 203
rate-constant: {A: 9.0e+07, b: 1.5, Ea: -460}
- equation: NNH <=> N2 + H # Reaction 204
rate-constant: {A: 3.3e+08, b: 0, Ea: 0}
- equation: NNH + M <=> N2 + H + M # Reaction 205
type: three-body
rate-constant: {A: 1.3e+14, b: -0.11, Ea: 4980}
efficiencies: {AR: 0.7, C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6}
- equation: NNH + O2 <=> HO2 + N2 # Reaction 206
rate-constant: {A: 5.0e+12, b: 0, Ea: 0}
- equation: NNH + O <=> OH + N2 # Reaction 207
rate-constant: {A: 2.5e+13, b: 0, Ea: 0}
- equation: NNH + O <=> NH + NO # Reaction 208
rate-constant: {A: 7.0e+13, b: 0, Ea: 0}
- equation: NNH + H <=> H2 + N2 # Reaction 209
rate-constant: {A: 5.0e+13, b: 0, Ea: 0}
- equation: NNH + OH <=> H2O + N2 # Reaction 210
rate-constant: {A: 2.0e+13, b: 0, Ea: 0}
- equation: NNH + CH3 <=> CH4 + N2 # Reaction 211
rate-constant: {A: 2.5e+13, b: 0, Ea: 0}
- equation: H + NO + M <=> HNO + M # Reaction 212
type: three-body
rate-constant: {A: 4.48e+19, b: -1.32, Ea: 740}
efficiencies: {AR: 0.7, C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6}
- equation: HNO + O <=> NO + OH # Reaction 213
rate-constant: {A: 2.5e+13, b: 0, Ea: 0}
- equation: HNO + H <=> H2 + NO # Reaction 214
rate-constant: {A: 9.0e+11, b: 0.72, Ea: 660}
- equation: HNO + OH <=> NO + H2O # Reaction 215
rate-constant: {A: 1.3e+07, b: 1.9, Ea: -950}
- equation: HNO + O2 <=> HO2 + NO # Reaction 216
rate-constant: {A: 1.0e+13, b: 0, Ea: 13000}
- equation: CN + O <=> CO + N # Reaction 217
rate-constant: {A: 7.7e+13, b: 0, Ea: 0}
- equation: CN + OH <=> NCO + H # Reaction 218
rate-constant: {A: 4.0e+13, b: 0, Ea: 0}
- equation: CN + H2O <=> HCN + OH # Reaction 219
rate-constant: {A: 8.0e+12, b: 0, Ea: 7460}
- equation: CN + O2 <=> NCO + O # Reaction 220
rate-constant: {A: 6.14e+12, b: 0, Ea: -440}
- equation: CN + H2 <=> HCN + H # Reaction 221
rate-constant: {A: 2.95e+05, b: 2.45, Ea: 2240}
- equation: NCO + O <=> NO + CO # Reaction 222
rate-constant: {A: 2.35e+13, b: 0, Ea: 0}
- equation: NCO + H <=> NH + CO # Reaction 223
rate-constant: {A: 5.4e+13, b: 0, Ea: 0}
- equation: NCO + OH <=> NO + H + CO # Reaction 224
rate-constant: {A: 2.5e+12, b: 0, Ea: 0}
- equation: NCO + N <=> N2 + CO # Reaction 225
rate-constant: {A: 2.0e+13, b: 0, Ea: 0}
- equation: NCO + O2 <=> NO + CO2 # Reaction 226
rate-constant: {A: 2.0e+12, b: 0, Ea: 20000}
- equation: NCO + M <=> N + CO + M # Reaction 227
type: three-body
rate-constant: {A: 3.1e+14, b: 0, Ea: 54050}
efficiencies: {AR: 0.7, C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6}
- equation: NCO + NO <=> N2O + CO # Reaction 228
rate-constant: {A: 1.9e+17, b: -1.52, Ea: 740}
- equation: NCO + NO <=> N2 + CO2 # Reaction 229
rate-constant: {A: 3.8e+18, b: -2, Ea: 800}
- equation: HCN + M <=> H + CN + M # Reaction 230
type: three-body
rate-constant: {A: 1.04e+29, b: -3.3, Ea: 126600}
efficiencies: {AR: 0.7, C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6}
- equation: HCN + O <=> NCO + H # Reaction 231
rate-constant: {A: 2.03e+04, b: 2.64, Ea: 4980}
- equation: HCN + O <=> NH + CO # Reaction 232
rate-constant: {A: 5070.0, b: 2.64, Ea: 4980}
- equation: HCN + O <=> CN + OH # Reaction 233
rate-constant: {A: 3.91e+09, b: 1.58, Ea: 26600}
- equation: HCN + OH <=> HOCN + H # Reaction 234
rate-constant: {A: 1.1e+06, b: 2.03, Ea: 13370}
- equation: HCN + OH <=> HNCO + H # Reaction 235
rate-constant: {A: 4400.0, b: 2.26, Ea: 6400}
- equation: HCN + OH <=> NH2 + CO # Reaction 236
rate-constant: {A: 160.0, b: 2.56, Ea: 9000}
- equation: H + HCN (+ M) <=> H2CN (+ M) # Reaction 237
type: falloff
low-P-rate-constant: {A: 1.4e+26, b: -3.4, Ea: 1900}
high-P-rate-constant: {A: 3.3e+13, b: 0, Ea: 0}
efficiencies: {AR: 0.7, C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6}
- equation: H2CN + N <=> N2 + CH2 # Reaction 238
rate-constant: {A: 6.0e+13, b: 0, Ea: 400}
- equation: C + N2 <=> CN + N # Reaction 239
rate-constant: {A: 6.3e+13, b: 0, Ea: 46020}
- equation: CH + N2 <=> HCN + N # Reaction 240
rate-constant: {A: 3.12e+09, b: 0.88, Ea: 20130}
- equation: CH + N2 (+ M) <=> HCNN (+ M) # Reaction 241
type: falloff
low-P-rate-constant: {A: 1.3e+25, b: -3.16, Ea: 740}
high-P-rate-constant: {A: 3.1e+12, b: 0.15, Ea: 0}
Troe: {A: 0.667, T3: 235, T1: 2117, T2: 4536}
efficiencies: {AR: 1, C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6}
- equation: CH2 + N2 <=> HCN + NH # Reaction 242
rate-constant: {A: 1.0e+13, b: 0, Ea: 74000}
- equation: CH2(S) + N2 <=> NH + HCN # Reaction 243
rate-constant: {A: 1.0e+11, b: 0, Ea: 65000}
- equation: C + NO <=> CN + O # Reaction 244
rate-constant: {A: 1.9e+13, b: 0, Ea: 0}
- equation: C + NO <=> CO + N # Reaction 245
rate-constant: {A: 2.9e+13, b: 0, Ea: 0}
- equation: CH + NO <=> HCN + O # Reaction 246
rate-constant: {A: 4.1e+13, b: 0, Ea: 0}
- equation: CH + NO <=> H + NCO # Reaction 247
rate-constant: {A: 1.62e+13, b: 0, Ea: 0}
- equation: CH + NO <=> N + HCO # Reaction 248
rate-constant: {A: 2.46e+13, b: 0, Ea: 0}
- equation: CH2 + NO <=> H + HNCO # Reaction 249
rate-constant: {A: 3.1e+17, b: -1.38, Ea: 1270}
- equation: CH2 + NO <=> OH + HCN # Reaction 250
rate-constant: {A: 2.9e+14, b: -0.69, Ea: 760}
- equation: CH2 + NO <=> H + HCNO # Reaction 251
rate-constant: {A: 3.8e+13, b: -0.36, Ea: 580}
- equation: CH2(S) + NO <=> H + HNCO # Reaction 252
rate-constant: {A: 3.1e+17, b: -1.38, Ea: 1270}
- equation: CH2(S) + NO <=> OH + HCN # Reaction 253
rate-constant: {A: 2.9e+14, b: -0.69, Ea: 760}
- equation: CH2(S) + NO <=> H + HCNO # Reaction 254
rate-constant: {A: 3.8e+13, b: -0.36, Ea: 580}
- equation: CH3 + NO <=> HCN + H2O # Reaction 255
rate-constant: {A: 9.6e+13, b: 0, Ea: 28800}
- equation: CH3 + NO <=> H2CN + OH # Reaction 256
rate-constant: {A: 1.0e+12, b: 0, Ea: 21750}
- equation: HCNN + O <=> CO + H + N2 # Reaction 257
rate-constant: {A: 2.2e+13, b: 0, Ea: 0}
- equation: HCNN + O <=> HCN + NO # Reaction 258
rate-constant: {A: 2.0e+12, b: 0, Ea: 0}
- equation: HCNN + O2 <=> O + HCO + N2 # Reaction 259
rate-constant: {A: 1.2e+13, b: 0, Ea: 0}
- equation: HCNN + OH <=> H + HCO + N2 # Reaction 260
rate-constant: {A: 1.2e+13, b: 0, Ea: 0}
- equation: HCNN + H <=> CH2 + N2 # Reaction 261
rate-constant: {A: 1.0e+14, b: 0, Ea: 0}
- equation: HNCO + O <=> NH + CO2 # Reaction 262
rate-constant: {A: 9.8e+07, b: 1.41, Ea: 8500}
- equation: HNCO + O <=> HNO + CO # Reaction 263
rate-constant: {A: 1.5e+08, b: 1.57, Ea: 44000}
- equation: HNCO + O <=> NCO + OH # Reaction 264
rate-constant: {A: 2.2e+06, b: 2.11, Ea: 11400}
- equation: HNCO + H <=> NH2 + CO # Reaction 265
rate-constant: {A: 2.25e+07, b: 1.7, Ea: 3800}
- equation: HNCO + H <=> H2 + NCO # Reaction 266
rate-constant: {A: 1.05e+05, b: 2.5, Ea: 13300}
- equation: HNCO + OH <=> NCO + H2O # Reaction 267
rate-constant: {A: 3.3e+07, b: 1.5, Ea: 3600}
- equation: HNCO + OH <=> NH2 + CO2 # Reaction 268
rate-constant: {A: 3.3e+06, b: 1.5, Ea: 3600}
- equation: HNCO + M <=> NH + CO + M # Reaction 269
type: three-body
rate-constant: {A: 1.18e+16, b: 0, Ea: 84720}
efficiencies: {AR: 0.7, C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6}
- equation: HCNO + H <=> H + HNCO # Reaction 270
rate-constant: {A: 2.1e+15, b: -0.69, Ea: 2850}
- equation: HCNO + H <=> OH + HCN # Reaction 271
rate-constant: {A: 2.7e+11, b: 0.18, Ea: 2120}
- equation: HCNO + H <=> NH2 + CO # Reaction 272
rate-constant: {A: 1.7e+14, b: -0.75, Ea: 2890}
- equation: HOCN + H <=> H + HNCO # Reaction 273
rate-constant: {A: 2.0e+07, b: 2, Ea: 2000}
- equation: HCCO + NO <=> HCNO + CO # Reaction 274
rate-constant: {A: 9.0e+12, b: 0, Ea: 0}
- equation: CH3 + N <=> H2CN + H # Reaction 275
rate-constant: {A: 6.1e+14, b: -0.31, Ea: 290}
- equation: CH3 + N <=> HCN + H2 # Reaction 276
rate-constant: {A: 3.7e+12, b: 0.15, Ea: -90}
- equation: NH3 + H <=> NH2 + H2 # Reaction 277
rate-constant: {A: 5.4e+05, b: 2.4, Ea: 9915}
- equation: NH3 + OH <=> NH2 + H2O # Reaction 278
rate-constant: {A: 5.0e+07, b: 1.6, Ea: 955}
- equation: NH3 + O <=> NH2 + OH # Reaction 279
rate-constant: {A: 9.4e+06, b: 1.94, Ea: 6460}
- equation: NH + CO2 <=> HNO + CO # Reaction 280
rate-constant: {A: 1.0e+13, b: 0, Ea: 14350}
- equation: CN + NO2 <=> NCO + NO # Reaction 281
rate-constant: {A: 6.16e+15, b: -0.752, Ea: 345}
- equation: NCO + NO2 <=> N2O + CO2 # Reaction 282
rate-constant: {A: 3.25e+12, b: 0, Ea: -705}
- equation: N + CO2 <=> NO + CO # Reaction 283
rate-constant: {A: 3.0e+12, b: 0, Ea: 11300}
- equation: O + CH3 => H + H2 + CO # Reaction 284
rate-constant: {A: 3.37e+13, b: 0, Ea: 0}
- equation: O + C2H4 <=> H + CH2CHO # Reaction 285
rate-constant: {A: 6.7e+06, b: 1.83, Ea: 220}
- equation: O + C2H5 <=> H + CH3CHO # Reaction 286
rate-constant: {A: 1.096e+14, b: 0, Ea: 0}
- equation: OH + HO2 <=> O2 + H2O # Reaction 287
rate-constant: {A: 5.0e+15, b: 0, Ea: 17330}
duplicate: true
- equation: OH + CH3 => H2 + CH2O # Reaction 288
rate-constant: {A: 8.0e+09, b: 0.5, Ea: -1755}
- equation: CH + H2 (+ M) <=> CH3 (+ M) # Reaction 289
type: falloff
low-P-rate-constant: {A: 4.82e+25, b: -2.8, Ea: 590}
high-P-rate-constant: {A: 1.97e+12, b: 0.43, Ea: -370}
Troe: {A: 0.578, T3: 122, T1: 2535, T2: 9365}
efficiencies: {AR: 0.7, C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6}
- equation: CH2 + O2 => 2 H + CO2 # Reaction 290
rate-constant: {A: 5.8e+12, b: 0, Ea: 1500}
- equation: CH2 + O2 <=> O + CH2O # Reaction 291
rate-constant: {A: 2.4e+12, b: 0, Ea: 1500}
- equation: CH2 + CH2 => 2 H + C2H2 # Reaction 292
rate-constant: {A: 2.0e+14, b: 0, Ea: 10989}
- equation: CH2(S) + H2O => H2 + CH2O # Reaction 293
rate-constant: {A: 6.82e+10, b: 0.25, Ea: -935}
- equation: C2H3 + O2 <=> O + CH2CHO # Reaction 294
rate-constant: {A: 3.03e+11, b: 0.29, Ea: 11}
- equation: C2H3 + O2 <=> HO2 + C2H2 # Reaction 295
rate-constant: {A: 1.337e+06, b: 1.61, Ea: -384}
- equation: O + CH3CHO <=> OH + CH2CHO # Reaction 296
rate-constant: {A: 2.92e+12, b: 0, Ea: 1808}
- equation: O + CH3CHO => OH + CH3 + CO # Reaction 297
rate-constant: {A: 2.92e+12, b: 0, Ea: 1808}
- equation: O2 + CH3CHO => HO2 + CH3 + CO # Reaction 298
rate-constant: {A: 3.01e+13, b: 0, Ea: 39150}
- equation: H + CH3CHO <=> CH2CHO + H2 # Reaction 299
rate-constant: {A: 2.05e+09, b: 1.16, Ea: 2405}
- equation: H + CH3CHO => CH3 + H2 + CO # Reaction 300
rate-constant: {A: 2.05e+09, b: 1.16, Ea: 2405}
- equation: OH + CH3CHO => CH3 + H2O + CO # Reaction 301
rate-constant: {A: 2.343e+10, b: 0.73, Ea: -1113}
- equation: HO2 + CH3CHO => CH3 + H2O2 + CO # Reaction 302
rate-constant: {A: 3.01e+12, b: 0, Ea: 11923}
- equation: CH3 + CH3CHO => CH3 + CH4 + CO # Reaction 303
rate-constant: {A: 2.72e+06, b: 1.77, Ea: 5920}
- equation: H + CH2CO (+ M) <=> CH2CHO (+ M) # Reaction 304
type: falloff
low-P-rate-constant: {A: 1.012e+42, b: -7.63, Ea: 3854}
high-P-rate-constant: {A: 4.865e+11, b: 0.422, Ea: -1755}
Troe: {A: 0.465, T3: 201, T1: 1773, T2: 5333}
efficiencies: {AR: 0.7, C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6}
- equation: O + CH2CHO => H + CH2 + CO2 # Reaction 305
rate-constant: {A: 1.5e+14, b: 0, Ea: 0}
- equation: O2 + CH2CHO => OH + CO + CH2O # Reaction 306
rate-constant: {A: 1.81e+10, b: 0, Ea: 0}
- equation: O2 + CH2CHO => OH + 2 HCO # Reaction 307
rate-constant: {A: 2.35e+10, b: 0, Ea: 0}
- equation: H + CH2CHO <=> CH3 + HCO # Reaction 308
rate-constant: {A: 2.2e+13, b: 0, Ea: 0}
- equation: H + CH2CHO <=> CH2CO + H2 # Reaction 309
rate-constant: {A: 1.1e+13, b: 0, Ea: 0}
- equation: OH + CH2CHO <=> H2O + CH2CO # Reaction 310
rate-constant: {A: 1.2e+13, b: 0, Ea: 0}
- equation: OH + CH2CHO <=> HCO + CH2OH # Reaction 311
rate-constant: {A: 3.01e+13, b: 0, Ea: 0}
- equation: CH3 + C2H5 (+ M) <=> C3H8 (+ M) # Reaction 312
type: falloff
low-P-rate-constant: {A: 2.71e+74, b: -16.82, Ea: 13065}
high-P-rate-constant: {A: 9.43e+12, b: 0, Ea: 0}
Troe: {A: 0.1527, T3: 291, T1: 2742, T2: 7748}
efficiencies: {AR: 0.7, C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6}
- equation: O + C3H8 <=> OH + C3H7 # Reaction 313
rate-constant: {A: 1.93e+05, b: 2.68, Ea: 3716}
- equation: H + C3H8 <=> C3H7 + H2 # Reaction 314
rate-constant: {A: 1.32e+06, b: 2.54, Ea: 6756}
- equation: OH + C3H8 <=> C3H7 + H2O # Reaction 315
rate-constant: {A: 3.16e+07, b: 1.8, Ea: 934}
- equation: C3H7 + H2O2 <=> HO2 + C3H8 # Reaction 316
rate-constant: {A: 378.0, b: 2.72, Ea: 1500}
- equation: CH3 + C3H8 <=> C3H7 + CH4 # Reaction 317
rate-constant: {A: 0.903, b: 3.65, Ea: 7154}
- equation: CH3 + C2H4 (+ M) <=> C3H7 (+ M) # Reaction 318
type: falloff
low-P-rate-constant: {A: 3.0e+63, b: -14.6, Ea: 18170}
high-P-rate-constant: {A: 2.55e+06, b: 1.6, Ea: 5700}
Troe: {A: 0.1894, T3: 277, T1: 8748, T2: 7891}
efficiencies: {AR: 0.7, C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6}
- equation: O + C3H7 <=> C2H5 + CH2O # Reaction 319
rate-constant: {A: 9.64e+13, b: 0, Ea: 0}
- equation: H + C3H7 (+ M) <=> C3H8 (+ M) # Reaction 320
type: falloff
low-P-rate-constant: {A: 4.42e+61, b: -13.545, Ea: 11357}
high-P-rate-constant: {A: 3.613e+13, b: 0, Ea: 0}
Troe: {A: 0.315, T3: 369, T1: 3285, T2: 6667}
efficiencies: {AR: 0.7, C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6}
- equation: H + C3H7 <=> CH3 + C2H5 # Reaction 321
rate-constant: {A: 4.06e+06, b: 2.19, Ea: 890}
- equation: OH + C3H7 <=> C2H5 + CH2OH # Reaction 322
rate-constant: {A: 2.41e+13, b: 0, Ea: 0}
- equation: HO2 + C3H7 <=> O2 + C3H8 # Reaction 323
rate-constant: {A: 2.55e+10, b: 0.255, Ea: -943}
- equation: HO2 + C3H7 => OH + C2H5 + CH2O # Reaction 324
rate-constant: {A: 2.41e+13, b: 0, Ea: 0}
- equation: CH3 + C3H7 <=> 2 C2H5 # Reaction 325
rate-constant: {A: 1.927e+13, b: -0.32, Ea: 0}
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