The fall-off relation used (typically) in [Baulch et al. (1994a)] for constant Fc is a special case of the SRI form with a = Fc, b = 0, and c = 0. The data, as published, although intended as such, were not in a convenient form for use in modeling. Many of the rates were stated as unidirectional for consumption of the reactants, sometimes with a list of possible products, but often without detailed branching information. Naturally, a complete mechanism requires detailed accounting of all species. Where a choice of products was given without proportioning data, the overall rate was divided equally among the products. Unidirectional rates were used wherever reverse rates were independently provided. Only reactions considered pertinent to the current work have been included. More hydrocarbon rates (for molecules larger than CH4) are available from the original publication.
Reaction | A (cm-molecules-sec-K) | n | E (K) |
O+H2
![]() |
8.500E-20 | 2.67 | 3160 |
O+OH
![]() |
2.400E-11 | 0.00 | 353 |
O+HO2
![]() |
5.300E-11 | 0.00 | 0 |
O+H2O2
![]() |
1.100E-12 | 0.00 | 2000 |
O+NO
![]() |
1.140E-15 | 1.13 | 19200 |
O+N2
![]() |
3.000E-10 | 0.00 | 38300 |
O+NH
![]() |
0.750E-10 | 0.00 | 0 |
O+NH
![]() |
0.750E-10 | 0.00 | 0 |
O+NH3
![]() |
1.600E-11 | 0.00 | 3670 |
O+CH
![]() |
6.600E-11 | 0.00 | 0 |
O+CH2
![]() |
1.200E-10 | 0.00 | 0 |
O+CH2
![]() |
0.800E-10 | 0.00 | 0 |
O+CH3
![]() |
1.400E-10 | 0.00 | 0 |
O+CH4
![]() |
1.200E-15 | 1.56 | 4270 |
O+HCO
![]() |
5.000E-11 | 0.00 | 0 |
O+HCO
![]() |
5.000E-11 | 0.00 | 0 |
O+CH2O
![]() |
6.900E-13 | 0.57 | 1390 |
O+CH3O
![]() |
2.200E-11 | 0.00 | 0 |
O+CH3O
![]() |
0.300E-11 | 0.00 | 0 |
O+CN
![]() |
1.700E-11 | 0.00 | 0 |
O+NCO
![]() |
3.500E-11 | 0.00 | 0 |
O+NCO
![]() |
3.500E-11 | 0.00 | 0 |
O+HCN
![]() |
0.767E-18 | 2.10 | 3075 |
O+HCN
![]() |
0.767E-18 | 2.10 | 3075 |
O+HCN
![]() |
0.767E-18 | 2.10 | 3075 |
O+C2H
![]() |
0.360E-11 | 0.00 | 0 |
O+C2H2
![]() |
0.840E-17 | 2.10 | 790 |
O+C2H2
![]() |
1.200E-17 | 2.10 | 790 |
O+HCCO
![]() |
1.600E-10 | 0.00 | 0 |
O2+CH4
![]() |
6.600E-11 | 0.00 | 28630 |
O2+CH2O
![]() |
1.000E-10 | 0.00 | 20460 |
H+O2
![]() |
1.620E-10 | 0.00 | 7470 |
H+O2+M
![]() |
1.700E-30 | -0.80 | 0 |
Enhanced Collision Efficiencies: | |||
H2=3.41, N2=2.29 | |||
H+H+M
![]() |
1.800E-30 | -1.00 | 0 |
Enhanced Collision Efficiencies: | |||
H2=0.00 | |||
H+H+H2
![]() |
2.700E-31 | -0.60 | 0 |
H+OH+M
![]() |
2.300E-26 | -2.00 | 0 |
Enhanced Collision Efficiencies: | |||
H2O=16.96, N2=2.65 | |||
H+HO2
![]() |
7.100E-11 | 0.00 | 710 |
H+HO2
![]() |
2.800E-10 | 0.00 | 440 |
H+HO2
![]() |
5.000E-11 | 0.00 | 866 |
H+H2O
![]() |
7.500E-16 | 1.6 | 9270 |
H+H2O2
![]() |
2.800E-12 | 0.00 | 1890 |
H+H2O2
![]() |
1.700E-11 | 0.00 | 1800 |
H+NO
![]() |
3.600E-10 | 0.00 | 24910 |
H+NH
![]() |
1.700E-11 | 0.00 | 0 |
H+NH2
![]() |
1.000E-11 | 0.00 | 0 |
H+CO+M
![]() |
5.300E-34 | 0.00 | 370 |
H+CH2
![]() |
1.000E-11 | 0.00 | -900 |
H+CH3
![]() |
1.000E-10 | 0.00 | 7600 |
H+CH3(+M)
![]() |
3.500E-10 | 0.00 | 0 |
Low pressure limit | 1.700E-24 | -1.80 | 0.0 |
Troe parameters: a=0.37, T
![]() ![]() |
|||
H+CH4
![]() |
2.200E-20 | 3.00 | 4045 |
H+HCO
![]() |
1.500E-10 | 0.00 | 0 |
H+CH2O
![]() |
2.100E-16 | 1.62 | 1090 |
H+CH3O
![]() |
3.000E-11 | 0.00 | 0 |
H+HNCO
![]() |
3.400E-10 | -0.27 | 10190 |
H+NCO
![]() |
4.350E-11 | 0.00 | 0 |
H+NCO
![]() |
4.350E-11 | 0.00 | 0 |
H+C2H2
![]() |
1.100E-10 | 0.00 | 14000 |
H+HCCO
![]() |
0.833E-10 | 0.00 | 0 |
H+HCCO
![]() |
0.833E-10 | 0.00 | 0 |
H+CH2CO
![]() |
3.000E-11 | 0.00 | 1700 |
H2+M
![]() |
3.700E-10 | 0.00 | 48350 |
Enhanced Collision Efficiencies: | |||
H2=4.05 | |||
OH+H2
![]() |
1.700E-16 | 1.60 | 1660 |
2OH
![]() |
2.500E-15 | 1.14 | 50 |
OH+OH(+M)
![]() |
1.200E-10 | -0.37 | 0 |
Low pressure limit | 6.1E-29 | -0.76 | 0.0 |
SRI parameters: a=0.5, b=0.0, c=0.0 | |||
Enhanced Collision Efficiencies: | |||
H2O=0.0 | |||
OH+OH(+H2O)
![]() |
1.200E-10 | -0.37 | 0 |
Low pressure limit | 4.0E-30 | 0.0 | 0.0 |
OH+HO2
![]() |
4.800E-11 | 0.00 | -250 |
OH+H2O2
![]() |
1.300E-11 | 0.00 | 670 |
OH+NH
![]() |
4.000E-11 | 0.00 | 0 |
OH+NH
![]() |
4.000E-11 | 0.00 | 0 |
OH+NH2
![]() |
3.300E-14 | 0.405 | 250 |
OH+CO
![]() |
1.050E-17 | 1.50 | -250 |
OH+CH3
![]() |
1.200E-11 | 0.00 | 1400 |
OH+CH3(+M)
![]() |
1.000E-10 | 0.00 | 0 |
Low pressure limit | 4.40E-04 | -8.2 | 0.0 |
Troe parameters: a=0.82, T
![]() ![]() |
|||
OH+CH4
![]() |
2.600E-17 | 1.83 | 1400 |
OH+HCO
![]() |
1.700E-10 | 0.00 | 0 |
OH+CH2O
![]() |
5.700E-15 | 1.18 | -225 |
OH+CN
![]() |
0.500E-10 | 0.00 | 0 |
OH+CN
![]() |
0.500E-10 | 0.00 | 0 |
OH+HCN
![]() |
1.500E-11 | 0.00 | 5400 |
OH+C2H2
![]() |
0.500E-10 | 0.00 | 6500 |
OH+C2H2
![]() |
0.500E-10 | 0.00 | 6500 |
OH+CH2CO
![]() |
0.850E-11 | 0.00 | 0 |
OH+CH2CO
![]() |
0.850E-11 | 0.00 | 0 |
H2O+M
![]() |
5.800E-09 | 0.00 | 52920 |
HO2+HO2
![]() |
7.000E-10 | 0.00 | 6030 |
HO2+NH2
![]() |
1.300E-11 | 0.00 | 0 |
HO2+NH2
![]() |
1.300E-11 | 0.00 | 0 |
HO2+CH3
![]() |
3.000E-11 | 0.00 | 0 |
HO2+CH4
![]() |
1.500E-11 | 0.00 | 12440 |
HO2+CH2O
![]() |
5.000E-12 | 0.00 | 6580 |
H2O2(+M)
![]() |
3.000E+14 | 0.00 | 24400 |
Low pressure limit | 3.000E-08 | 0.00 | 21600 |
SRI parameters: a=0.5, b=0.0, c=0.0 | |||
Enhanced Collision Efficiencies: | |||
N2=0.00 | |||
H2O2(+N2)
![]() |
3.000E+14 | 0.00 | 24400 |
Low pressure limit | 2.000E-07 | 0.00 | 22900 |
SRI parameters: a=0.5, b=0.0, c=0.0 | |||
N+O2
![]() |
1.500E-14 | 1.00 | 3270 |
N+OH
![]() |
4.700E-11 | 0.00 | 0 |
N+NO
![]() |
7.100E-11 | 0.00 | 790 |
N+CN
![]() |
3.000E-10 | 0.00 | 0 |
N+NCO
![]() |
3.300E-11 | 0.00 | 0 |
NH+O2
![]() |
0.650E-13 | 0.00 | 770 |
NH+O2
![]() |
0.650E-13 | 0.00 | 770 |
NH+O2
![]() |
6.500E-11 | 0.00 | 9000 |
NH+NO
![]() |
0.933E-10 | 0.00 | 6400 |
NH+NO
![]() |
0.933E-10 | 0.00 | 6400 |
NH+NO
![]() |
0.933E-10 | 0.00 | 6400 |
NH2+NO
![]() |
0.792E-12 | 0.00 | -650 |
NH2+NO
![]() |
0.108E-12 | 0.00 | -650 |
NH2+NO
![]() |
0.108E-12 | 0.00 | -650 |
NH2+NO
![]() |
0.792E-12 | 0.00 | -650 |
NH3(+M)
![]() |
8.300E+15 | 0.00 | 55170 |
Low pressure limit | 7.400E-9 | 0.0 | 41560 |
Troe parameters: a=0.42, T
![]() ![]() |
|||
C+N2
![]() |
8.700E-11 | 0.00 | 22600 |
C+NO
![]() |
3.200E-11 | 0.00 | 0 |
C+NO
![]() |
4.800E-11 | 0.00 | 0 |
CH+O2
![]() |
2.750E-11 | 0.00 | 0 |
CH+O2
![]() |
2.750E-11 | 0.00 | 0 |
CH+H2
![]() |
2.400E-10 | 0.00 | 1760 |
CH+N2
![]() |
2.600E-12 | 0.00 | 9030 |
CH+NO
![]() |
0.667E-10 | 0.00 | 0 |
CH+NO
![]() |
0.667E-10 | 0.00 | 0 |
CH+NO
![]() |
0.667E-10 | 0.00 | 0 |
CH2+O2
![]() |
0.820E-11 | 0.00 | 750 |
CH2+O2
![]() |
0.820E-11 | 0.00 | 750 |
CH2+O2
![]() |
0.820E-11 | 0.00 | 750 |
CH2+O2
![]() |
0.820E-11 | 0.00 | 750 |
CH2+O2
![]() |
0.820E-11 | 0.00 | 750 |
CH2+CH2
![]() |
0.200E-10 | 0.00 | 400 |
CH2+CH2
![]() |
1.800E-10 | 0.00 | 400 |
CH2(S)+AR
![]() |
6.000E-12 | 0.00 | 0 |
CH2(S)+N2
![]() |
1.000E-11 | 0.00 | 0 |
CH2(S)+CH4
![]() |
1.200E-11 | 0.00 | 0 |
CH2(S)+C2H2
![]() |
8.000E-11 | 0.00 | 0 |
CH2(S)+O2
![]() |
1.300E-11 | 0.00 | 0 |
CH2(S)+O2
![]() |
1.300E-11 | 0.00 | 0 |
CH2(S)+O2
![]() |
1.300E-11 | 0.00 | 0 |
CH2(S)+O2
![]() |
1.300E-11 | 0.00 | 0 |
CH2(S)+H2
![]() |
1.200E-10 | 0.00 | 0 |
CH3+M
![]() |
1.700E-08 | 0.00 | 45600 |
CH3+O2
![]() |
2.200E-10 | 0.00 | 15800 |
CH3+O2
![]() |
5.500E-13 | 0.00 | 4500 |
CH3+H2
![]() |
1.140E-20 | 2.74 | 4740 |
CH3+CH2O
![]() |
1.300E-31 | 6.10 | 990 |
CH4(+M)
![]() |
2.400E+16 | 0.00 | 52800 |
Low pressure limit | 7.8E+23 | -8.2 | 59200 |
Troe parameters: a=1.0, T
![]() ![]() ![]() |
|||
Enhanced Collision Efficiencies: | |||
CH4=0.0 | |||
CH4(+CH4)
![]() |
2.400E+16 | 0.00 | 52800 |
Low pressure limit | 1.4E-06 | 0.0 | 45700 |
Troe parameters: a=0.69, T
![]() ![]() |
|||
HCO+M
![]() |
2.600E-10 | 0.00 | 7930 |
HCO+O2
![]() |
2.500E-12 | 0.00 | 0 |
HCO+O2
![]() |
2.500E-12 | 0.00 | 0 |
HCO+HCO
![]() |
5.000E-11 | 0.00 | 0 |
CH2O+M
![]() |
0.810E+12 | -5.54 | 48660 |
CH2O+M
![]() |
1.890E+12 | -5.54 | 48660 |
CH2OH+O2
![]() |
2.600E-09 | -1.00 | 0 |
Duplicate Reaction | |||
CH2OH+O2
![]() |
1.200E-10 | 0.00 | 1800 |
Duplicate Reaction | |||
CH3O+M
![]() |
9.000E-11 | 0.00 | 6790 |
CH3O+O2
![]() |
3.600E-14 | 0.00 | 880 |
CN+O2
![]() |
1.200E-11 | 0.00 | -210 |
CN+H2
![]() |
3.200E-20 | 2.87 | 820 |
CN+H2O
![]() |
0.650E-11 | 0.00 | 3750 |
CN+H2O
![]() |
0.650E-11 | 0.00 | 3750 |
CN+CH4
![]() |
1.500E-19 | 2.64 | -150 |
NCO+M
![]() |
1.700E-09 | 0.00 | 23500 |
NCO+NO
![]() |
0.767E-06 | -1.73 | 380 |
NCO+NO
![]() |
0.767E-06 | -1.73 | 380 |
NCO+NO
![]() |
0.767E-06 | -1.73 | 380 |
C2H+O2
![]() |
0.750E-11 | 0.00 | 0 |
C2H+O2
![]() |
0.750E-11 | 0.00 | 0 |
C2H+O2
![]() |
0.750E-11 | 0.00 | 0 |
C2H+H2
![]() |
1.800E-11 | 0.00 | 1090 |
HCCO+O2
![]() |
0.675E-12 | 0.00 | 430 |
HCCO+O2
![]() |
0.675E-12 | 0.00 | 430 |
HCCO+O2
![]() |
0.675E-12 | 0.00 | 430 |