478 lines
22 KiB
Text
478 lines
22 KiB
Text
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gri30_mix:
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temperature 2288.59 K
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pressure 36960.8 Pa
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density 0.0529495 kg/m^3
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mean mol. weight 27.2598 amu
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1 kg 1 kmol
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----------- ------------
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enthalpy -33317 -9.082e+05 J
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internal energy -7.3136e+05 -1.994e+07 J
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entropy 10281 2.803e+05 J/K
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Gibbs function -2.3562e+07 -6.423e+08 J
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heat capacity c_p 1518.3 4.139e+04 J/K
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heat capacity c_v 1213.3 3.307e+04 J/K
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X Y Chem. Pot. / RT
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------------- ------------ ------------
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H2 0.00634887 0.000469531 -25.9845
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H 0.00120414 4.45261e-05 -12.9923
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O 0.000692919 0.00040668 -17.5375
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O2 0.00812669 0.00953926 -35.075
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OH 0.00534461 0.00333443 -30.5298
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H2O 0.177919 0.11758 -43.522
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HO2 7.12342e-07 8.625e-07 -48.0673
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H2O2 4.18996e-08 5.22812e-08 -61.0596
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C 1.66264e-16 7.3258e-17 -21.6172
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CH 1.67899e-17 8.01868e-18 -34.6094
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CH2 2.86985e-17 1.47673e-17 -47.6017
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CH2(S) 1.83746e-18 9.45495e-19 -47.6017
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CH3 1.0097e-16 5.56894e-17 -60.594
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CH4 2.84494e-17 1.67431e-17 -73.5862
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CO 0.0155284 0.0159558 -39.1547
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CO2 0.0782431 0.126318 -56.6922
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HCO 1.37909e-09 1.46804e-09 -52.1469
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CH2O 1.46215e-11 1.61053e-11 -65.1392
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CH2OH 4.20868e-17 4.79139e-17 -78.1315
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CH3O 7.04448e-19 8.01981e-19 -78.1315
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CH3OH 2.1532e-18 2.53094e-18 -91.1237
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C2H 1.6473e-23 1.51256e-23 -56.2266
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C2H2 1.98462e-21 1.89567e-21 -69.2188
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C2H3 1.32369e-26 1.31331e-26 -82.2111
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C2H4 7.65313e-27 7.87611e-27 -95.2034
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C2H5 7.31954e-32 7.80346e-32 -108.196
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C2H6 3.15103e-33 3.47587e-33 -121.188
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HCCO 1.07382e-19 1.61622e-19 -73.7641
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CH2CO 8.15513e-20 1.25759e-19 -86.7564
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HCCOH 9.75257e-23 1.50393e-22 -86.7564
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N 4.80886e-08 2.47095e-08 -14.3773
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NH 5.31196e-09 2.92589e-09 -27.3695
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NH2 1.3193e-09 7.75468e-10 -40.3618
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NH3 2.10686e-09 1.31629e-09 -53.3541
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NNH 8.71093e-10 9.27405e-10 -41.7468
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NO 0.00285875 0.00314675 -31.9148
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NO2 3.86805e-07 6.52793e-07 -49.4523
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N2O 9.11766e-08 1.47212e-07 -46.2921
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HNO 4.18474e-08 4.76107e-08 -44.9071
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CN 2.00153e-13 1.91035e-13 -35.9944
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HCN 2.90367e-11 2.87877e-11 -48.9867
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H2CN 7.81307e-18 8.03498e-18 -61.979
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HCNN 1.97109e-21 2.967e-21 -63.364
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HCNO 1.31371e-16 2.07347e-16 -66.5242
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HOCN 1.09532e-12 1.72878e-12 -66.5242
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HNCO 3.22019e-10 5.08253e-10 -66.5242
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NCO 2.33892e-11 3.6051e-11 -53.5319
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N2 0.703732 0.723203 -28.7546
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AR 0 0
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C3H7 1.94408e-47 3.07298e-47 -155.797
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C3H8 7.88404e-49 1.27537e-48 -168.79
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CH2CHO 3.0064e-25 4.7473e-25 -99.7486
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CH3CHO 3.59146e-26 5.80396e-26 -112.741
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Reaction Forward ROP
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2 O + M <=> O2 + M 7.654093e-07
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H + O + M <=> OH + M 2.901271e-06
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H2 + O <=> H + OH 1.307186e-01
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HO2 + O <=> O2 + OH 3.724607e-05
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H2O2 + O <=> HO2 + OH 1.755301e-06
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CH + O <=> CO + H 2.501982e-15
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CH2 + O <=> H + HCO 6.002206e-15
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CH2(S) + O <=> CO + H2 7.205597e-17
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CH2(S) + O <=> H + HCO 7.205597e-17
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CH3 + O <=> CH2O + H 1.335683e-14
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CH4 + O <=> CH3 + OH 9.118583e-16
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CO + O (+M) <=> CO2 (+M) 4.402985e-05
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HCO + O <=> CO + OH 1.081620e-07
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HCO + O <=> CO2 + H 1.081620e-07
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CH2O + O <=> HCO + OH 6.353321e-10
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CH2OH + O <=> CH2O + OH 1.100293e-15
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CH3O + O <=> CH2O + OH 1.841665e-17
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CH3OH + O <=> CH2OH + OH 2.063152e-16
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CH3OH + O <=> CH3O + OH 4.373516e-17
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C2H + O <=> CH + CO 2.153303e-21
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C2H2 + O <=> H + HCCO 1.933150e-19
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C2H2 + O <=> C2H + OH 4.650887e-21
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C2H2 + O <=> CH2 + CO 9.937823e-20
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C2H3 + O <=> CH2CO + H 1.038169e-24
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C2H4 + O <=> CH3 + HCO 2.821116e-25
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C2H5 + O <=> CH2O + CH3 4.286409e-30
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C2H6 + O <=> C2H5 + OH 4.444442e-31
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HCCO + O <=> 2 CO + H 2.807330e-17
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CH2CO + O <=> HCCO + OH 3.102337e-19
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CH2CO + O <=> CH2 + CO2 2.695066e-19
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CO + O2 <=> CO2 + O 1.185678e-05
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CH2O + O2 <=> HCO + HO2 2.924612e-12
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H + O2 + M <=> HO2 + M 4.077955e-05
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H + 2 O2 <=> HO2 + O2 9.267647e-07
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H + H2O + O2 <=> H2O + HO2 4.308072e-04
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H + N2 + O2 <=> HO2 + N2 1.003166e-04
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AR + H + O2 <=> AR + HO2 0.000000e+00
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H + O2 <=> O + OH 9.566542e-02
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2 H + M <=> H2 + M 3.752098e-06
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2 H + H2 <=> 2 H2 6.185839e-08
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2 H + H2O <=> H2 + H2O 8.033966e-06
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CO2 + 2 H <=> CO2 + H2 1.048274e-07
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H + OH + M <=> H2O + M 3.496064e-04
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H + HO2 <=> H2O + O 1.093006e-05
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H + HO2 <=> H2 + O2 1.120905e-04
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H + HO2 <=> 2 OH 2.332805e-04
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H + H2O2 <=> H2 + HO2 2.870377e-06
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H + H2O2 <=> H2O + OH 7.995932e-07
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CH + H <=> C + H2 1.258598e-14
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CH2 + H (+M) <=> CH3 (+M) 2.063311e-17
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CH2(S) + H <=> CH + H2 2.504342e-16
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CH3 + H (+M) <=> CH4 (+M) 3.156585e-16
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CH4 + H <=> CH3 + H2 1.495747e-15
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H + HCO (+M) <=> CH2O (+M) 1.316552e-10
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H + HCO <=> CO + H2 4.598787e-07
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CH2O + H (+M) <=> CH2OH (+M) 4.609072e-13
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CH2O + H (+M) <=> CH3O (+M) 1.436898e-14
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CH2O + H <=> H2 + HCO 4.000026e-09
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CH2OH + H (+M) <=> CH3OH (+M) 3.185269e-18
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CH2OH + H <=> CH2O + H2 3.824124e-15
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CH2OH + H <=> CH3 + OH 4.859676e-15
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CH2OH + H <=> CH2(S) + H2O 2.721197e-15
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CH3O + H (+M) <=> CH3OH (+M) 3.694171e-20
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CH3O + H <=> CH2OH + H 2.154213e-17
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CH3O + H <=> CH2O + H2 6.400800e-17
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CH3O + H <=> CH3 + OH 2.252849e-16
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CH3O + H <=> CH2(S) + H2O 1.116804e-16
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CH3OH + H <=> CH2OH + H2 4.819389e-16
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CH3OH + H <=> CH3O + H2 1.190672e-16
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C2H + H (+M) <=> C2H2 (+M) 3.081347e-23
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C2H2 + H (+M) <=> C2H3 (+M) 1.053924e-22
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C2H3 + H (+M) <=> C2H4 (+M) 1.654065e-26
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C2H3 + H <=> C2H2 + H2 1.804106e-24
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C2H4 + H (+M) <=> C2H5 (+M) 4.672616e-28
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C2H4 + H <=> C2H3 + H2 6.051586e-25
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C2H5 + H (+M) <=> C2H6 (+M) 1.197484e-31
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C2H5 + H <=> C2H4 + H2 6.650730e-31
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C2H6 + H <=> C2H5 + H2 5.448809e-31
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H + HCCO <=> CH2(S) + CO 4.878510e-17
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CH2CO + H <=> H2 + HCCO 2.695583e-18
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CH2CO + H <=> CH3 + CO 1.833014e-18
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H + HCCOH <=> CH2CO + H 4.430724e-21
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CO + H2 (+M) <=> CH2O (+M) 2.669156e-11
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H2 + OH <=> H + H2O 1.246853e+00
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2 OH (+M) <=> H2O2 (+M) 1.009170e-03
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2 OH <=> H2O + O 5.937628e-01
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HO2 + OH <=> H2O + O2 2.349480e-04
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H2O2 + OH <=> H2O + HO2 1.524600e-06
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H2O2 + OH <=> H2O + HO2 1.201858e-03
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C + OH <=> CO + H 1.676348e-13
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CH + OH <=> H + HCO 1.015698e-14
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CH2 + OH <=> CH2O + H 1.157404e-14
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CH2 + OH <=> CH + H2O 1.384602e-14
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CH2(S) + OH <=> CH2O + H 1.111563e-15
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CH3 + OH (+M) <=> CH3OH (+M) 2.280743e-16
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CH3 + OH <=> CH2 + H2O 6.332884e-15
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CH3 + OH <=> CH2(S) + H2O 3.317405e-14
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CH4 + OH <=> CH3 + H2O 5.545780e-15
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CO + OH <=> CO2 + H 1.748979e-01
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HCO + OH <=> CO + H2O 1.390458e-06
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CH2O + OH <=> H2O + HCO 9.312839e-09
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CH2OH + OH <=> CH2O + H2O 4.243386e-15
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CH3O + OH <=> CH2O + H2O 7.102558e-17
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CH3OH + OH <=> CH2OH + H2O 3.339208e-16
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CH3OH + OH <=> CH3O + H2O 8.313209e-16
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C2H + OH <=> H + HCCO 6.643537e-21
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C2H2 + OH <=> CH2CO + H 9.653927e-21
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C2H2 + OH <=> H + HCCOH 3.370948e-20
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C2H2 + OH <=> C2H + H2O 2.016864e-19
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C2H2 + OH <=> CH3 + CO 5.955337e-22
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C2H3 + OH <=> C2H2 + H2O 1.334600e-24
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C2H4 + OH <=> C2H3 + H2O 1.326930e-24
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C2H6 + OH <=> C2H5 + H2O 1.991149e-30
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CH2CO + OH <=> H2O + HCCO 7.617494e-18
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2 HO2 <=> H2O2 + O2 3.686041e-10
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2 HO2 <=> H2O2 + O2 4.463246e-08
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CH2 + HO2 <=> CH2O + OH 1.542614e-18
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CH3 + HO2 <=> CH4 + O2 2.713684e-19
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CH3 + HO2 <=> CH3O + OH 1.025773e-17
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CO + HO2 <=> CO2 + OH 2.123886e-05
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CH2O + HO2 <=> H2O2 + HCO 5.328424e-14
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C + O2 <=> CO + O 2.573643e-13
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C + CH2 <=> C2H + H 9.001332e-28
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C + CH3 <=> C2H2 + H 3.166932e-27
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CH + O2 <=> HCO + O 3.454328e-14
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CH + H2 <=> CH2 + H 2.053161e-14
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CH + H2O <=> CH2O + H 7.719478e-14
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CH + CH2 <=> C2H2 + H 7.271870e-29
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CH + CH3 <=> C2H3 + H 1.918843e-28
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CH + CH4 <=> C2H4 + H 1.081312e-28
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CH + CO (+M) <=> HCCO (+M) 1.701143e-17
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CH + CO2 <=> CO + HCO 2.096448e-14
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CH + CH2O <=> CH2CO + H 9.919720e-23
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CH + HCCO <=> C2H2 + CO 3.401173e-31
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CH2 + O2 => CO + H + OH 3.065249e-15
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CH2 + H2 <=> CH3 + H 2.626502e-16
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2 CH2 <=> C2H2 + H2 2.797190e-28
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CH2 + CH3 <=> C2H4 + H 4.373103e-28
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CH2 + CH4 <=> 2 CH3 4.507087e-30
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CH2 + CO (+M) <=> CH2CO (+M) 1.874401e-17
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CH2 + HCCO <=> C2H3 + CO 3.488121e-31
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CH2(S) + N2 <=> CH2 + N2 6.333040e-14
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AR + CH2(S) <=> AR + CH2 0.000000e+00
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CH2(S) + O2 <=> CO + H + OH 1.577497e-15
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CH2(S) + O2 <=> CO + H2O 6.760701e-16
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CH2(S) + H2 <=> CH3 + H 3.080994e-15
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CH2(S) + H2O (+M) <=> CH3OH (+M) 1.506473e-16
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CH2(S) + H2O <=> CH2 + H2O 3.700333e-14
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CH2(S) + CH3 <=> C2H4 + H 9.636346e-30
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CH2(S) + CH4 <=> 2 CH3 3.620203e-30
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CH2(S) + CO <=> CH2 + CO 9.688715e-16
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CH2(S) + CO2 <=> CH2 + CO2 3.796999e-15
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CH2(S) + CO2 <=> CH2O + CO 7.593997e-15
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C2H6 + CH2(S) <=> C2H5 + CH3 9.976067e-46
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CH3 + O2 <=> CH3O + O 7.126395e-17
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CH3 + O2 <=> CH2O + OH 5.353979e-17
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CH3 + H2O2 <=> CH4 + HO2 1.779337e-20
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2 CH3 (+M) <=> C2H6 (+M) 9.449127e-30
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2 CH3 <=> C2H5 + H 4.394817e-29
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CH3 + HCO <=> CH4 + CO 1.391170e-20
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CH2O + CH3 <=> CH4 + HCO 9.607465e-24
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CH3 + CH3OH <=> CH2OH + CH4 2.141674e-31
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CH3 + CH3OH <=> CH3O + CH4 7.138914e-32
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C2H4 + CH3 <=> C2H3 + CH4 3.146094e-40
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C2H6 + CH3 <=> C2H5 + CH4 3.552777e-46
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H2O + HCO <=> CO + H + H2O 1.106338e-05
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HCO + M <=> CO + H + M 7.088738e-06
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HCO + O2 <=> CO + HO2 5.164787e-07
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CH2OH + O2 <=> CH2O + HO2 1.869986e-14
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CH3O + O2 <=> CH2O + HO2 3.682457e-16
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C2H + O2 <=> CO + HCO 6.058548e-21
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C2H + H2 <=> C2H2 + H 1.348408e-20
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C2H3 + O2 <=> CH2O + HCO 3.535425e-25
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C2H4 (+M) <=> C2H2 + H2 (+M) 1.105633e-25
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C2H5 + O2 <=> C2H4 + HO2 7.411133e-31
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HCCO + O2 <=> 2 CO + OH 8.576585e-18
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2 HCCO <=> C2H2 + 2 CO 4.350537e-34
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N + NO <=> N2 + O 1.285627e-05
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N + O2 <=> NO + O 5.788738e-06
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N + OH <=> H + NO 2.969557e-05
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N2O + O <=> N2 + O2 2.467385e-08
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N2O + O <=> 2 NO 2.613813e-08
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H + N2O <=> N2 + OH 1.695842e-06
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N2O + OH <=> HO2 + N2 2.300563e-08
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N2O (+M) <=> N2 + O (+M) 5.007931e-07
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HO2 + NO <=> NO2 + OH 1.819924e-05
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NO + O + M <=> NO2 + M 6.357480e-05
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NO2 + O <=> NO + O2 4.178612e-06
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H + NO2 <=> NO + OH 2.126926e-04
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NH + O <=> H + NO 5.554903e-07
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H + NH <=> H2 + N 7.132302e-07
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NH + OH <=> H + HNO 2.142302e-06
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NH + OH <=> H2O + N 2.063972e-06
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NH + O2 <=> HNO + O 6.840813e-08
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NH + O2 <=> NO + OH 1.942555e-08
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N + NH <=> H + N2 1.445664e-11
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H2O + NH <=> H2 + HNO 2.534847e-06
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NH + NO <=> N2 + OH 2.133036e-07
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NH + NO <=> H + N2O 6.706097e-07
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NH2 + O <=> NH + OH 1.034726e-08
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NH2 + O <=> H + HNO 1.345143e-07
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H + NH2 <=> H2 + NH 9.950139e-08
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NH2 + OH <=> H2O + NH 2.553248e-07
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NNH <=> H + N2 5.583649e-04
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NNH + M <=> H + N2 + M 1.100272e-04
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NNH + O2 <=> HO2 + N2 1.335451e-07
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NNH + O <=> N2 + OH 5.693328e-08
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NNH + O <=> NH + NO 1.594132e-07
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H + NNH <=> H2 + N2 1.978746e-07
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NNH + OH <=> H2O + N2 3.513100e-07
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CH3 + NNH <=> CH4 + N2 8.296121e-21
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H + NO + M <=> HNO + M 7.773301e-05
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HNO + O <=> NO + OH 2.735084e-06
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H + HNO <=> H2 + NO 3.585087e-05
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HNO + OH <=> H2O + NO 2.801136e-05
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HNO + O2 <=> HO2 + NO 5.597178e-07
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CN + O <=> CO + N 4.029153e-11
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CN + OH <=> H + NCO 1.614423e-10
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CN + H2O <=> HCN + OH 1.781373e-10
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CN + O2 <=> NCO + O 4.189516e-11
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CN + H2 <=> H + HCN 1.121525e-10
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NCO + O <=> CO + NO 1.436960e-09
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H + NCO <=> CO + NH 5.738051e-09
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NCO + OH <=> CO + H + NO 1.179101e-09
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N + NCO <=> CO + N2 8.487242e-14
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NCO + O2 <=> CO2 + NO 1.158456e-11
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NCO + M <=> CO + N + M 1.198032e-10
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NCO + NO <=> CO + N2O 3.605924e-10
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NCO + NO <=> CO2 + N2 1.812338e-10
|
|
HCN + M <=> CN + H + M 1.416042e-14
|
|
HCN + O <=> H + NCO 2.698483e-10
|
|
HCN + O <=> CO + NH 6.739561e-11
|
|
HCN + O <=> CN + OH 8.599717e-11
|
|
HCN + OH <=> H + HOCN 1.410029e-10
|
|
HCN + OH <=> H + HNCO 1.754610e-11
|
|
HCN + OH <=> CO + NH2 3.378665e-12
|
|
H + HCN (+M) <=> H2CN (+M) 2.320228e-13
|
|
H2CN + N <=> CH2 + N2 7.723948e-20
|
|
C + N2 <=> CN + N 4.253898e-16
|
|
CH + N2 <=> HCN + N 9.086512e-16
|
|
CH + N2 (+M) <=> HCNN (+M) 5.017472e-17
|
|
CH2 + N2 <=> HCN + NH 1.376378e-20
|
|
CH2(S) + N2 <=> HCN + NH 7.706141e-23
|
|
C + NO <=> CN + O 3.407278e-14
|
|
C + NO <=> CO + N 5.200583e-14
|
|
CH + NO <=> HCN + O 7.424842e-15
|
|
CH + NO <=> H + NCO 2.933718e-15
|
|
CH + NO <=> HCO + N 4.454905e-15
|
|
CH2 + NO <=> H + HNCO 1.852635e-15
|
|
CH2 + NO <=> HCN + OH 3.827277e-16
|
|
CH2 + NO <=> H + HCNO 6.526219e-16
|
|
CH2(S) + NO <=> H + HNCO 1.186172e-16
|
|
CH2(S) + NO <=> HCN + OH 2.450460e-17
|
|
CH2(S) + NO <=> H + HCNO 4.178490e-17
|
|
CH3 + NO <=> H2O + HCN 1.013317e-16
|
|
CH3 + NO <=> H2CN + OH 5.769943e-18
|
|
HCNN + O <=> CO + H + N2 1.133680e-19
|
|
HCNN + O <=> HCN + NO 1.030618e-20
|
|
HCNN + O2 <=> HCO + N2 + O 7.252384e-19
|
|
HCNN + OH <=> H + HCO + N2 4.769614e-19
|
|
H + HCNN <=> CH2 + N2 8.954916e-19
|
|
HNCO + O <=> CO2 + NH 5.105502e-10
|
|
HNCO + O <=> CO + HNO 5.121920e-13
|
|
HNCO + O <=> NCO + OH 1.201384e-09
|
|
H + HNCO <=> CO + NH2 5.801553e-09
|
|
H + HNCO <=> H2 + NCO 1.242718e-09
|
|
HNCO + OH <=> H2O + NCO 8.591584e-09
|
|
HNCO + OH <=> CO2 + NH2 8.591584e-10
|
|
HNCO + M <=> CO + NH + M 3.878009e-11
|
|
H + HCNO <=> H + HNCO 3.229672e-15
|
|
H + HCNO <=> HCN + OH 3.827897e-16
|
|
H + HCNO <=> CO + NH2 1.636859e-16
|
|
H + HOCN <=> H + HNCO 2.681372e-10
|
|
HCCO + NO <=> CO + HCNO 1.042390e-17
|
|
CH3 + N <=> H + H2CN 9.744130e-19
|
|
CH3 + N <=> H2 + HCN 2.180266e-19
|
|
H + NH3 <=> H2 + NH2 4.400937e-08
|
|
NH3 + OH <=> H2O + NH2 3.459680e-07
|
|
NH3 + O <=> NH2 + OH 3.010769e-08
|
|
CO2 + NH <=> CO + HNO 4.941123e-07
|
|
CN + NO2 <=> NCO + NO 5.278187e-15
|
|
NCO + NO2 <=> CO2 + N2O 1.314741e-13
|
|
CO2 + N <=> CO + NO 2.798207e-06
|
|
CH3 + O => CO + H + H2 8.895754e-15
|
|
C2H4 + O <=> CH2CHO + H 1.512118e-25
|
|
C2H5 + O <=> CH3CHO + H 2.097279e-29
|
|
HO2 + OH <=> H2O + O2 1.103771e-03
|
|
CH3 + OH => CH2O + H2 1.136169e-15
|
|
CH + H2 (+M) <=> CH3 (+M) 2.191154e-17
|
|
CH2 + O2 => CO2 + 2 H 3.555689e-15
|
|
CH2 + O2 <=> CH2O + O 1.471319e-15
|
|
2 CH2 => C2H2 + 2 H 4.401101e-29
|
|
CH2(S) + H2O => CH2O + H2 7.123667e-16
|
|
C2H3 + O2 <=> CH2CHO + O 1.125713e-24
|
|
C2H3 + O2 <=> C2H2 + HO2 1.317206e-25
|
|
CH3CHO + O <=> CH2CHO + OH 3.546995e-25
|
|
CH3CHO + O => CH3 + CO + OH 3.546995e-25
|
|
CH3CHO + O2 => CH3 + CO + HO2 2.653723e-27
|
|
CH3CHO + H <=> CH2CHO + H2 1.329705e-24
|
|
CH3CHO + H => CH3 + CO + H2 1.329705e-24
|
|
CH3CHO + OH => CH3 + CO + H2O 5.882935e-24
|
|
CH3CHO + HO2 => CH3 + CO + H2O2 1.642887e-29
|
|
CH3 + CH3CHO => CH3 + CH4 + CO 6.720371e-39
|
|
CH2CO + H (+M) <=> CH2CHO (+M) 1.464625e-20
|
|
CH2CHO + O => CH2 + CO2 + H 1.178961e-22
|
|
CH2CHO + O2 => CH2O + CO + OH 1.668470e-25
|
|
CH2CHO + O2 => 2 HCO + OH 2.166246e-25
|
|
CH2CHO + H <=> CH3 + HCO 3.004861e-23
|
|
CH2CHO + H <=> CH2CO + H2 1.502431e-23
|
|
CH2CHO + OH <=> CH2CO + H2O 7.274841e-23
|
|
CH2CHO + OH <=> CH2OH + HCO 1.824773e-22
|
|
C2H5 + CH3 (+M) <=> C3H8 (+M) 2.274954e-45
|
|
C3H8 + O <=> C3H7 + OH 1.282443e-46
|
|
C3H8 + H <=> C3H7 + H2 2.512869e-46
|
|
C3H8 + OH <=> C3H7 + H2O 3.793453e-46
|
|
C3H7 + H2O2 <=> C3H8 + HO2 8.672390e-52
|
|
C3H8 + CH3 <=> C3H7 + CH4 6.341459e-62
|
|
C2H4 + CH3 (+M) <=> C3H7 (+M) 8.420582e-44
|
|
C3H7 + O <=> C2H5 + CH2O 4.899526e-45
|
|
C3H7 + H (+M) <=> C3H8 (+M) 6.879398e-49
|
|
C3H7 + H <=> C2H5 + CH3 5.394437e-45
|
|
C3H7 + OH <=> C2H5 + CH2OH 9.447747e-45
|
|
C3H7 + HO2 <=> C3H8 + O2 1.174518e-50
|
|
C3H7 + HO2 => C2H5 + CH2O + OH 1.259217e-48
|
|
C3H7 + CH3 <=> 2 C2H5 1.236274e-59
|
|
|
|
Species Mix diff coeff
|
|
H2 6.151756e-03
|
|
H 1.027934e-02
|
|
O 2.642409e-03
|
|
O2 1.718885e-03
|
|
OH 2.593270e-03
|
|
H2O 2.320505e-03
|
|
HO2 1.708941e-03
|
|
H2O2 1.697379e-03
|
|
C 2.475316e-03
|
|
CH 2.826186e-03
|
|
CH2 1.924878e-03
|
|
CH2(S) 1.924878e-03
|
|
CH3 1.881897e-03
|
|
CH4 1.873440e-03
|
|
CO 1.694647e-03
|
|
CO2 1.343550e-03
|
|
HCO 1.491843e-03
|
|
CH2O 1.479619e-03
|
|
CH2OH 1.445208e-03
|
|
CH3O 1.445208e-03
|
|
CH3OH 1.446742e-03
|
|
C2H 1.450980e-03
|
|
C2H2 1.436239e-03
|
|
C2H3 1.422456e-03
|
|
C2H4 1.423330e-03
|
|
C2H5 1.305061e-03
|
|
C2H6 1.294398e-03
|
|
HCCO 2.138210e-03
|
|
CH2CO 1.252645e-03
|
|
HCCOH 1.252645e-03
|
|
N 2.349996e-03
|
|
NH 2.785123e-03
|
|
NH2 2.726901e-03
|
|
NH3 2.104919e-03
|
|
NNH 1.652984e-03
|
|
NO 1.680343e-03
|
|
NO2 1.498765e-03
|
|
N2O 1.361636e-03
|
|
HNO 1.705500e-03
|
|
CN 1.665457e-03
|
|
HCN 1.483152e-03
|
|
H2CN 1.469665e-03
|
|
HCNN 2.138168e-03
|
|
HCNO 1.367656e-03
|
|
HOCN 1.367656e-03
|
|
HNCO 1.367656e-03
|
|
NCO 1.374058e-03
|
|
N2 1.735784e-03
|
|
AR 1.669882e-03
|
|
C3H7 1.007600e-03
|
|
C3H8 1.003095e-03
|
|
CH2CHO 1.246815e-03
|
|
CH3CHO 1.241226e-03
|
|
|
|
time Temperature
|
|
0.00e+00 1050.000
|
|
5.00e-03 1050.063
|
|
1.00e-02 1050.192
|
|
1.50e-02 1050.361
|
|
2.00e-02 1050.578
|
|
2.50e-02 1050.858
|
|
3.00e-02 1051.216
|
|
3.50e-02 1051.680
|
|
4.00e-02 1052.286
|
|
4.50e-02 1053.088
|
|
5.00e-02 1054.174
|
|
5.50e-02 1055.692
|
|
6.00e-02 1057.919
|
|
6.50e-02 1061.450
|
|
7.00e-02 1067.905
|
|
7.50e-02 1084.644
|
|
8.00e-02 2894.008
|
|
8.50e-02 2894.004
|
|
9.00e-02 2894.004
|
|
9.50e-02 2894.004
|
|
1.00e-01 2894.004
|