This mechanism is a modified version of the listing published by [Miller and Bowman (1989)]. The separate mechanisms listed in Appendix A and Appendix B of that paper have been combined to handle hydrocarbon and ammonia combustion simultaneously. The original version was found to be deficient for ammonia combustion under highly dilute conditions where thermal dissocation of NH3 is important. To rectify this difficulty, the mechanism of [Fujii et al. (1981)] was blended into the [Miller and Bowman (1989)] mechanism. The [Fujii et al. (1981)] mechanism was tested against shock tube experiments.
| Reaction | A (cm-moles-sec-K) | n | E (cal/mole) |
| 2CH3(+M)
|
9.030E+16 | -1.20 | 654 |
| Low pressure limit | 3.180E+41 | -7.0 | 2762 |
| Troe parameters: a=6.04E-1, T
|
|||
| Enhanced Collision Efficiencies: | |||
| H2=2.0, CO=2.0, CO2=3.0, H2O=5.0 | |||
| CH3+H(+M)
|
6.000E+16 | -1.00 | 0 |
| Low pressure limit | 8.000E+26 | -3.0 | 0 |
| SRI parameters: a=4.50E-1, b=797.0, c=979.0, d=1.0, e=0.0 | |||
| Enhanced Collision Efficiencies: | |||
| H2=2.0, CO=2.0, CO2=3.0, H2O=5.0 | |||
| CH4+O2
|
7.900E+13 | 0.00 | 56000 |
| CH4+H
|
2.200E+04 | 3.00 | 8750 |
| CH4+OH
|
1.600E+06 | 2.10 | 2460 |
| CH4+O
|
1.020E+09 | 1.50 | 8604 |
| CH4+HO2
|
1.800E+11 | 0.00 | 18700 |
| CH3+HO2
|
2.000E+13 | 0.00 | 0 |
| CH3+O2
|
2.050E+19 | -1.57 | 29229 |
| CH3+O
|
8.000E+13 | 0.00 | 0 |
| CH2OH+H
|
1.000E+14 | 0.00 | 0 |
| CH3O+H
|
1.000E+14 | 0.00 | 0 |
| CH3+OH
|
7.500E+06 | 2.00 | 5000 |
| CH3+H
|
9.000E+13 | 0.00 | 15100 |
| CH3O+M
|
1.000E+14 | 0.00 | 25000 |
| CH2OH+M
|
1.000E+14 | 0.00 | 25000 |
| CH3O+H
|
2.000E+13 | 0.00 | 0 |
| CH2OH+H
|
2.000E+13 | 0.00 | 0 |
| CH3O+OH
|
1.000E+13 | 0.00 | 0 |
| CH2OH+OH
|
1.000E+13 | 0.00 | 0 |
| CH3O+O
|
1.000E+13 | 0.00 | 0 |
| CH2OH+O
|
1.000E+13 | 0.00 | 0 |
| CH3O+O2
|
6.300E+10 | 0.00 | 2600 |
| CH2OH+O2
|
1.480E+13 | 0.00 | 1500 |
| CH2+H
|
1.000E+18 | -1.56 | 0 |
| CH2+OH
|
1.130E+07 | 2.00 | 3000 |
| CH2+OH
|
2.500E+13 | 0.00 | 0 |
| CH+O2
|
3.300E+13 | 0.00 | 0 |
| CH+O
|
5.700E+13 | 0.00 | 0 |
| CH+OH
|
3.000E+13 | 0.00 | 0 |
| CH+CO2
|
3.400E+12 | 0.00 | 690 |
| CH+H
|
1.500E+14 | 0.00 | 0 |
| CH+H2O
|
1.170E+15 | -0.75 | 0 |
| CH+CH2O
|
9.460E+13 | 0.00 | -515 |
| CH+C2H2
|
1.000E+14 | 0.00 | 0 |
| CH+CH2
|
4.000E+13 | 0.00 | 0 |
| CH+CH3
|
3.000E+13 | 0.00 | 0 |
| CH+CH4
|
6.000E+13 | 0.00 | 0 |
| C+O2
|
2.000E+13 | 0.00 | 0 |
| C+OH
|
5.000E+13 | 0.00 | 0 |
| C+CH3
|
5.000E+13 | 0.00 | 0 |
| C+CH2
|
5.000E+13 | 0.00 | 0 |
| CH2+CO2
|
1.100E+11 | 0.00 | 1000 |
| CH2+O
|
5.000E+13 | 0.00 | 0 |
| CH2+O
|
3.000E+13 | 0.00 | 0 |
| CH2+O2
|
1.600E+12 | 0.00 | 1000 |
| CH2+O2
|
5.000E+13 | 0.00 | 9000 |
| CH2+O2
|
6.900E+11 | 0.00 | 500 |
| CH2+O2
|
1.900E+10 | 0.00 | -1000 |
| CH2+O2
|
8.600E+10 | 0.00 | -500 |
| CH2+O2
|
4.300E+10 | 0.00 | -500 |
| CH2O+OH
|
3.430E+09 | 1.18 | -447 |
| CH2O+H
|
2.190E+08 | 1.77 | 3000 |
| CH2O+M
|
3.310E+16 | 0.00 | 81000 |
| CH2O+O
|
1.800E+13 | 0.00 | 3080 |
| HCO+OH
|
1.000E+14 | 0.00 | 0 |
| HCO+M
|
2.500E+14 | 0.00 | 16802 |
| Enhanced Collision Efficiencies: | |||
| CO=1.9, H2=1.9, CH4=2.8, CO2=3.0, H2O=5.0 | |||
| HCO+H
|
1.190E+13 | 0.25 | 0 |
| HCO+O
|
3.000E+13 | 0.00 | 0 |
| HCO+O
|
3.000E+13 | 0.00 | 0 |
| HCO+O2
|
3.300E+13 | -0.40 | 0 |
| CO+O+M
|
6.170E+14 | 0.00 | 3000 |
| CO+OH
|
1.510E+07 | 1.30 | -758 |
| CO+O2
|
1.600E+13 | 0.00 | 41000 |
| HO2+CO
|
5.800E+13 | 0.00 | 22934 |
| C2H6+CH3
|
5.500E-01 | 4.00 | 8300 |
| C2H6+H
|
5.400E+02 | 3.50 | 5210 |
| C2H6+O
|
3.000E+07 | 2.00 | 5115 |
| C2H6+OH
|
8.700E+09 | 1.05 | 1810 |
| C2H4+H
|
1.100E+14 | 0.00 | 8500 |
| C2H4+O
|
1.600E+09 | 1.20 | 746 |
| C2H4+OH
|
2.020E+13 | 0.00 | 5955 |
| CH2+CH3
|
3.000E+13 | 0.00 | 0 |
| H+C2H4(+M)
|
2.210E+13 | 0.00 | 2066 |
| Low pressure limit | 6.37E+27 | -2.8 | -54 |
| Enhanced Collision Efficiencies: | |||
| H2=2.0, CO=2.0, CO2=3.0, H2O=5.0 | |||
| C2H5+H
|
1.000E+14 | 0.00 | 0 |
| C2H5+O2
|
8.430E+11 | 0.00 | 3875 |
| C2H2+O
|
1.020E+07 | 2.00 | 1900 |
| C2H2+O
|
1.020E+07 | 2.00 | 1900 |
| H2+C2H
|
4.090E+05 | 2.39 | 864 |
| H+C2H2(+M)
|
5.540E+12 | 0.00 | 2410 |
| Low pressure limit | 2.67E+27 | -3.5 | 2410 |
| Enhanced Collision Efficiencies: | |||
| H2=2.0, CO=2.0, CO2=3.0, H2O=5.0 | |||
| C2H3+H
|
4.000E+13 | 0.00 | 0 |
| C2H3+O
|
3.000E+13 | 0.00 | 0 |
| C2H3+O2
|
4.000E+12 | 0.00 | -250 |
| C2H3+OH
|
5.000E+12 | 0.00 | 0 |
| C2H3+CH2
|
3.000E+13 | 0.00 | 0 |
| C2H3+C2H
|
3.000E+13 | 0.00 | 0 |
| C2H3+CH
|
5.000E+13 | 0.00 | 0 |
| OH+C2H2
|
3.370E+07 | 2.00 | 14000 |
| OH+C2H2
|
5.040E+05 | 2.30 | 13500 |
| OH+C2H2
|
2.180E-04 | 4.50 | -1000 |
| OH+C2H2
|
4.830E-04 | 4.00 | -2000 |
| HCCOH+H
|
1.000E+13 | 0.00 | 0 |
| C2H2+O
|
3.160E+15 | -0.60 | 15000 |
| CH2CO+O
|
1.750E+12 | 0.00 | 1350 |
| CH2CO+H
|
1.130E+13 | 0.00 | 3428 |
| CH2CO+H
|
5.000E+13 | 0.00 | 8000 |
| CH2CO+O
|
1.000E+13 | 0.00 | 8000 |
| CH2CO+OH
|
7.500E+12 | 0.00 | 2000 |
| CH2CO(+M)
|
3.000E+14 | 0.00 | 70980 |
| Low pressure limit | 3.60E+15 | 0.0 | 59270 |
| C2H+O2
|
5.000E+13 | 0.00 | 1500 |
| C2H+C2H2
|
3.000E+13 | 0.00 | 0 |
| H+HCCO
|
1.000E+14 | 0.00 | 0 |
| O+HCCO
|
1.000E+14 | 0.00 | 0 |
| HCCO+O2
|
1.600E+12 | 0.00 | 854 |
| CH+HCCO
|
5.000E+13 | 0.00 | 0 |
| 2HCCO
|
1.000E+13 | 0.00 | 0 |
| CH2(S)+M
|
1.000E+13 | 0.00 | 0 |
| Enhanced Collision Efficiencies: | |||
| H=0.0 | |||
| CH2(S)+CH4
|
4.000E+13 | 0.00 | 0 |
| CH2(S)+C2H6
|
1.200E+14 | 0.00 | 0 |
| CH2(S)+O2
|
3.000E+13 | 0.00 | 0 |
| CH2(S)+H2
|
7.000E+13 | 0.00 | 0 |
| CH2(S)+H
|
2.000E+14 | 0.00 | 0 |
| C2H+O
|
5.000E+13 | 0.00 | 0 |
| C2H+OH
|
2.000E+13 | 0.00 | 0 |
| 2CH2
|
4.000E+13 | 0.00 | 0 |
| CH2+HCCO
|
3.000E+13 | 0.00 | 0 |
| CH2+C2H2
|
1.200E+13 | 0.00 | 6600 |
| C4H2+OH
|
6.660E+12 | 0.00 | -410 |
| C3H2+O2
|
1.000E+13 | 0.00 | 0 |
| C3H3+O2
|
3.000E+10 | 0.00 | 2868 |
| C3H3+O
|
2.000E+13 | 0.00 | 0 |
| C3H3+OH
|
2.000E+13 | 0.00 | 0 |
| 2C2H2
|
2.000E+12 | 0.00 | 45900 |
| C4H3+M
|
1.000E+16 | 0.00 | 59700 |
| CH2(S)+C2H2
|
3.000E+13 | 0.00 | 0 |
| C4H2+O
|
1.200E+12 | 0.00 | 0 |
| C2H2+O2
|
2.000E+08 | 1.50 | 30100 |
| C2H2+M
|
4.200E+16 | 0.00 | 107000 |
| C2H4+M
|
1.500E+15 | 0.00 | 55800 |
| C2H4+M
|
1.400E+16 | 0.00 | 82360 |
| H2+O2
|
1.700E+13 | 0.00 | 47780 |
| OH+H2
|
1.170E+09 | 1.30 | 3626 |
| O+OH
|
4.000E+14 | -0.50 | 0 |
| O+H2
|
5.060E+04 | 2.67 | 6290 |
| H+O2+M
|
3.61E+17 | -0.72 | 0 |
| Enhanced Collision Efficiencies: | |||
| H2O=18.6, CO2=4.2, H2=2.9, CO=2.1, N2=1.3 | |||
| OH+HO2
|
7.500E+12 | 0.00 | 0 |
| H+HO2
|
1.400E+14 | 0.00 | 1073 |
| O+HO2
|
1.400E+13 | 0.00 | 1073 |
| 2OH
|
6.000E+08 | 1.30 | 0 |
| 2H+M
|
1.000E+18 | -1.00 | 0 |
| Enhanced Collision Efficiencies: | |||
| H2=0.0, H2O=0.0, CO2=0.0 | |||
| 2H+H2
|
9.200E+16 | -0.60 | 0 |
| 2H+H2O
|
6.000E+19 | -1.25 | 0 |
| 2H+CO2
|
5.490E+20 | -2.00 | 0 |
| H+OH+M
|
1.600E+22 | -2.00 | 0 |
| Enhanced Collision Efficiencies: | |||
| H2O=5.0 | |||
| H+O+M
|
6.200E+16 | -0.60 | 0 |
| Enhanced Collision Efficiencies: | |||
| H2O=5.0 | |||
| 2O+M
|
1.890E+13 | 0.00 | -1788 |
| H+HO2
|
1.250E+13 | 0.00 | 0 |
| 2HO2
|
2.000E+12 | 0.00 | 0 |
| H2O2+M
|
1.300E+17 | 0.00 | 45500 |
| H2O2+H
|
1.600E+12 | 0.00 | 3800 |
| H2O2+OH
|
1.000E+13 | 0.00 | 1800 |
| CH+N2
|
3.000E+11 | 0.00 | 13600 |
| CN+N
|
1.040E+15 | -0.50 | 0 |
| CH2+N2
|
1.000E+13 | 0.00 | 74000 |
| H2CN+N
|
2.000E+13 | 0.00 | 0 |
| H2CN+M
|
3.000E+14 | 0.00 | 22000 |
| C+NO
|
6.600E+13 | 0.00 | 0 |
| CH+NO
|
1.100E+14 | 0.00 | 0 |
| CH2+NO
|
1.390E+12 | 0.00 | -1100 |
| CH3+NO
|
1.000E+11 | 0.00 | 15000 |
| CH3+NO
|
1.000E+11 | 0.00 | 15000 |
| HCCO+NO
|
2.000E+13 | 0.00 | 0 |
| CH2(S)+NO
|
2.000E+13 | 0.00 | 0 |
| HCNO+H
|
1.000E+14 | 0.00 | 12000 |
| CH2+N
|
5.000E+13 | 0.00 | 0 |
| CH+N
|
1.300E+13 | 0.00 | 0 |
| CO2+N
|
1.900E+11 | 0.00 | 3400 |
| HCCO+N
|
5.000E+13 | 0.00 | 0 |
| CH3+N
|
3.000E+13 | 0.00 | 0 |
| C2H3+N
|
2.000E+13 | 0.00 | 0 |
| C3H3+N
|
1.000E+13 | 0.00 | 0 |
| HCN+OH
|
1.450E+13 | 0.00 | 10929 |
| OH+HCN
|
5.850E+04 | 2.40 | 12500 |
| OH+HCN
|
1.980E-03 | 4.00 | 1000 |
| OH+HCN
|
7.830E-04 | 4.00 | 4000 |
| HOCN+H
|
1.000E+13 | 0.00 | 0 |
| HCN+O
|
1.380E+04 | 2.64 | 4980 |
| HCN+O
|
3.450E+03 | 2.64 | 4980 |
| HCN+O
|
2.700E+09 | 1.58 | 26600 |
| CN+H2
|
2.950E+05 | 2.45 | 2237 |
| CN+O
|
1.800E+13 | 0.00 | 0 |
| CN+O2
|
5.600E+12 | 0.00 | 0 |
| CN+OH
|
6.000E+13 | 0.00 | 0 |
| CN+HCN
|
2.000E+13 | 0.00 | 0 |
| CN+NO2
|
3.000E+13 | 0.00 | 0 |
| CN+N2O
|
1.000E+13 | 0.00 | 0 |
| C2N2+O
|
4.570E+12 | 0.00 | 8880 |
| C2N2+OH
|
1.860E+11 | 0.00 | 2900 |
| HO2+NO
|
2.110E+12 | 0.00 | -479 |
| NO2+H
|
3.500E+14 | 0.00 | 1500 |
| NO2+O
|
1.000E+13 | 0.00 | 600 |
| NO2+M
|
1.100E+16 | 0.00 | 66000 |
| NCO+H
|
5.000E+13 | 0.00 | 0 |
| NCO+O
|
2.000E+13 | 0.00 | 0 |
| NCO+N
|
2.000E+13 | 0.00 | 0 |
| NCO+OH
|
1.000E+13 | 0.00 | 0 |
| NCO+M
|
3.100E+16 | -0.50 | 48000 |
| NCO+NO
|
1.000E+13 | 0.00 | -390 |
| NCO+H2
|
8.580E+12 | 0.00 | 9000 |
| HNCO+H
|
2.000E+13 | 0.00 | 3000 |
| NH+O2
|
7.600E+10 | 0.00 | 1530 |
| NH+NO
|
2.400E+15 | -0.80 | 0 |
| N2O+OH
|
2.000E+12 | 0.00 | 10000 |
| N2O+H
|
7.600E+13 | 0.00 | 15200 |
| N2O+M
|
1.600E+14 | 0.00 | 51600 |
| N2O+O
|
1.000E+14 | 0.00 | 28200 |
| N2O+O
|
1.000E+14 | 0.00 | 28200 |
| NH+OH
|
2.000E+13 | 0.00 | 0 |
| NH+OH
|
5.000E+11 | 0.50 | 2000 |
| NH+N
|
3.000E+13 | 0.00 | 0 |
| NH+H
|
1.000E+14 | 0.00 | 0 |
| NH2+O
|
6.630E+14 | -0.50 | 0 |
| NH2+O
|
6.750E+12 | 0.00 | 0 |
| NH2+OH
|
4.000E+06 | 2.00 | 1000 |
| NH2+H
|
6.920E+13 | 0.00 | 3650 |
| NH2+NO
|
6.400E+15 | -1.25 | 0 |
| NH2+NO
|
6.200E+15 | -1.25 | 0 |
| NNH+M
|
1.000E+04 | 0.00 | 0 |
| NNH+NO
|
5.000E+13 | 0.00 | 0 |
| NNH+H
|
1.000E+14 | 0.00 | 0 |
| NNH+OH
|
5.000E+13 | 0.00 | 0 |
| NNH+NH2
|
5.000E+13 | 0.00 | 0 |
| NNH+NH
|
5.000E+13 | 0.00 | 0 |
| NNH+O
|
1.000E+14 | 0.00 | 0 |
| HNO+M
|
1.500E+16 | 0.00 | 48680 |
| Enhanced Collision Efficiencies: | |||
| H2O=10.0, O2=2.0, N2=2.0, H2=2.0 | |||
| HNO+OH
|
3.600E+13 | 0.00 | 0 |
| HNO+H
|
5.000E+12 | 0.00 | 0 |
| HNO+NH2
|
2.000E+13 | 0.0 | 1000 |
| N+NO
|
3.270E+12 | 0.30 | 0 |
| N+O2
|
6.400E+09 | 1.00 | 6280 |
| N+OH
|
3.800E+13 | 0.00 | 0 |
| NH+O
|
2.000E+13 | 0.00 | 0 |
| HNO+HNO
|
3.950E+12 | 0.00 | 5000 |
| HNO+NO
|
2.000E+12 | 0.00 | 26000 |
| NH2+NH
|
5.000E+13 | 0.00 | 0 |
| 2NH
|
2.540E+13 | 0.00 | 0 |
| NH2+N
|
7.200E+13 | 0.00 | 0 |
| N2H2+M
|
5.000E+16 | 0.00 | 50000 |
| Enhanced Collision Efficiencies: | |||
| H2O=15.0, O2=2.0, N2=2.0, H2=2.0 | |||
| N2H2+H
|
5.000E+13 | 0.00 | 1000 |
| N2H2+O
|
1.000E+13 | 0.00 | 0 |
| N2H2+O
|
2.000E+13 | 0.00 | 1000 |
| N2H2+OH
|
1.000E+13 | 0.00 | 1000 |
| N2H2+NO
|
3.000E+12 | 0.00 | 0 |
| N2H2+NH
|
1.000E+13 | 0.00 | 1000 |
| N2H2+NH2
|
1.000E+13 | 0.00 | 1000 |
| 2NH2
|
5.000E+11 | 0.00 | 0 |
| NH3+M
|
1.778E+16 | 0.00 | 92100 |
| NH3+O2
|
1.000E+12 | 0.00 | 61500 |
| NH3+H
|
1.259E+14 | 0.00 | 22000 |
| NH3+O
|
1.514E+12 | 0.00 | 6000 |
| NH3+OH
|
2.512E+12 | 0.00 | 2000 |
| NH2+O2
|
1.5849E+13 | 0.00 | 28600 |
| HNO+O2
|
3.1623E+12 | 0.00 | 3000 |
| NH2+O2
|
1.0000E+14 | 0.00 | 50000 |
| NH+O2
|
1.0000E+14 | 0.00 | 1000 |