ELEMENTS
N AR HE H O C
END
SPECIES
N2 AR HE H O2
OH O H2 H2O HO2
H2O2 CO CO2 HCO CH3
CH4 CH2O T-CH2 S-CH2 C2H4
CH3O C2H5 C2H6 CH C2H2
C2H4OOH OC2H3OOH C2H3 CH2CHO C2H4O
HCCO CH2CO C2H CH2OH CH3OH
CH3CHO CH3CO C2H5OH CH2CH2OH CH3CHOH
CH3CH2O C3H4 C3H3 C3H5 C3H6
C3H8 I-C3H7 N-C3H7 C3H6OOH OC3H5OOH
C4H10 PC4H9 SC4H9 C4H8 SC4H9O2
C4H8OOH1-3 NC4KET13 CHCHO O3
END
REACTIONS
H+O2<=>OH+O 3.520e+16 -0.700 17069.79
H2+O<=>OH+H 5.060e+04 2.670 6290.63
H2+OH<=>H2O+H 1.170e+09 1.300 3635.28
H2O+O<=>2 OH 7.000e+05 2.330 14548.28
2 H+M<=>H2+M 1.300e+18 -1.000 0.00
AR/0.50/ HE/0.50/ H2/2.50/ H2O/12.00/ CO/1.90/ CO2/3.80/
H+OH+M<=>H2O+M 4.000e+22 -2.000 0.00
AR/0.38/ HE/0.38/ H2/2.50/ H2O/12.00/ CO/1.90/ CO2/3.80/
2 O+M<=>O2+M 6.170e+15 -0.500 0.00
AR/0.20/ HE/0.20/ H2/2.50/ H2O/12.00/ CO/1.90/ CO2/3.80/
H+O+M<=>OH+M 4.710e+18 -1.000 0.00
AR/0.75/ HE/0.75/ H2/2.50/ H2O/12.00/ CO/1.90/ CO2/3.80/
O3+M=O2+O+M 5.50E+14 0.000 22176.907
AR/0.70/ HE/0.80/ N2/1.00/ H2/2.00/ O2/1.00/ O3/2.50/ O/4.00/
H+O2(+M)<=>HO2(+M) 4.650e+12 0.440 0.00
AR/0.70/ HE/0.70/ H2/2.50/ H2O/16.00/ CO/1.20/ CO2/2.40/ C2H6/1.50/
LOW / 5.750e+19 -1.400 0.00 /
TROE/ 0.5 1e-30 1e+30 /
HO2+H<=>2 OH 7.080e+13 0.000 294.93
HO2+H<=>H2+O2 1.660e+13 0.000 822.90
HO2+H<=>H2O+O 3.100e+13 0.000 1720.84
HO2+O<=>OH+O2 2.000e+13 0.000 0.00
HO2+OH<=>H2O+O2 7.000e+12 0.000 -1094.65
DUPLICATE
HO2+OH<=>H2O+O2 4.500e+14 0.000 10929.73
DUPLICATE
2 OH(+M)<=>H2O2(+M) 9.550e+13 -0.270 0.00
AR/0.70/ HE/0.40/ H2/2.50/ H2O/6.00/ H2O2/6.00/ CO/1.50/ CO2/2.00/
LOW / 2.760e+25 -3.200 0.00 /
TROE/ 0.57 1e+30 1e-30 /
2 HO2<=>H2O2+O2 1.030e+14 0.000 11042.07
DUPLICATE
2 HO2<=>H2O2+O2 1.940e+11 0.000 -1408.94
DUPLICATE
H2O2+H<=>HO2+H2 2.300e+13 0.000 7950.05
H2O2+H<=>H2O+OH 1.000e+13 0.000 3585.09
H2O2+OH<=>H2O+HO2 1.740e+12 0.000 1434.03
DUPLICATE
H2O2+OH<=>H2O+HO2 7.590e+13 0.000 7272.94
DUPLICATE
H2O2+O<=>HO2+OH 9.630e+06 2.000 3991.40
CO+O(+M)<=>CO2(+M) 1.800e+11 0.000 2384.08
AR/0.70/ HE/0.70/ H2/2.50/ H2O/12.00/ CO/2.00/ CO2/4.00/
LOW / 1.550e+24 -2.790 4190.97 /
TROE/ 1 1 1e+07 1e+07 /
CO+OH<=>CO2+H 4.400e+06 1.500 -740.92
CO+HO2<=>CO2+OH 2.000e+13 0.000 22944.55
CO+O2<=>CO2+O 1.000e+12 0.000 47700.05
HCO+M<=>CO+H+M 1.860e+17 -1.000 17000.48
H2/1.90/ H2O/12.00/ CO/2.50/ CO2/2.50/
HCO+H<=>CO+H2 5.000e+13 0.000 0.00
HCO+O<=>CO+OH 3.000e+13 0.000 0.00
HCO+O<=>CO2+H 3.000e+13 0.000 0.00
HCO+OH<=>CO+H2O 3.000e+13 0.000 0.00
HCO+O2<=>CO+HO2 7.580e+12 0.000 409.89
HCO+CH3<=>CO+CH4 5.000e+13 0.000 0.00
H+HCO(+M)<=>CH2O(+M) 1.090e+12 0.480 -260.04
AR/0.70/ H2/2.00/ H2O/6.00/ CO/1.50/ CO2/2.00/ CH4/2.00/ C2H6/3.00/
LOW / 1.350e+24 -2.570 424.95 /
TROE/ 0.7824 271 2755 6570 /
CH2O+H<=>HCO+H2 5.740e+07 1.900 2748.57
CH2O+O<=>HCO+OH 3.500e+13 0.000 3513.38
CH2O+OH<=>HCO+H2O 3.900e+10 0.890 406.31
CH2O+O2<=>HCO+HO2 6.000e+13 0.000 40674.00
CH2O+HO2<=>HCO+H2O2 4.110e+04 2.500 10210.33
CH4+H<=>H2+CH3 1.300e+04 3.000 8037.76
CH4+OH<=>H2O+CH3 1.600e+07 1.830 2782.03
CH4+O<=>CH3+OH 1.900e+09 1.440 8675.91
CH4+O2<=>CH3+HO2 3.980e+13 0.000 56890.54
CH4+HO2<=>CH3+H2O2 9.030e+12 0.000 24641.49
CH3+H<=>T-CH2+H2 1.800e+14 0.000 15105.16
CH3+H<=>S-CH2+H2 1.550e+14 0.000 13479.92
CH3+OH<=>S-CH2+H2O 4.000e+13 0.000 2502.39
CH3+O<=>CH2O+H 8.430e+13 0.000 0.00
CH3+T-CH2<=>C2H4+H 4.220e+13 0.000 0.00
CH3+HO2<=>CH3O+OH 5.000e+12 0.000 0.00
CH3+O2<=>CH2O+OH 3.300e+11 0.000 8941.20
CH3+O2<=>CH3O+O 1.100e+13 0.000 27820.03
2 CH3<=>C2H4+H2 1.000e+14 0.000 32002.87
2 CH3<=>C2H5+H 3.160e+13 0.000 14698.85
H+CH3(+M)<=>CH4(+M) 1.351e+14 0.091 87.721
AR/0.70/ H2/2.00/ H2O/16.00/ CO/1.50/ CO2/2.00/ CH4/4.00/
LOW / 1.59e+33 -4.761 2432.29 /
TROE/ 0.834 36.8 778 2464.3 /
2 CH3(+M)<=>C2H6(+M) 1.810e+13 0.000 0.00
AR/0.70/ H2/2.00/ H2O/6.00/ CO/1.50/ CO2/2.00/ CH4/2.00/ C2H6/3.00/
LOW / 1.270e+41 -7.000 2762.91 /
TROE/ 0.62 73 1.2e+03 /
S-CH2+OH<=>CH2O+H 3.000e+13 0.000 0.00
S-CH2+O2<=>CO+OH+H 3.130e+13 0.000 0.00
S-CH2+CO2<=>CO+CH2O 3.000e+12 0.000 0.00
S-CH2+M<=>T-CH2+M 6.000e+12 0.000 0.00
H2/2.40/ H2O/15.40/ CO/1.80/ CO2/3.60/
T-CH2+H<=>CH+H2 6.020e+12 0.000 -1787.76
T-CH2+OH<=>CH2O+H 2.500e+13 0.000 0.00
T-CH2+OH<=>CH+H2O 1.130e+07 2.000 2999.52
T-CH2+O<=>CO+2 H 8.000e+13 0.000 0.00
T-CH2+O<=>CO+H2 4.000e+13 0.000 0.00
T-CH2+O2<=>CO2+H2 2.630e+12 0.000 1491.40
T-CH2+O2<=>CO+OH+H 6.580e+12 0.000 1491.40
2 T-CH2<=>C2H2+2 H 1.000e+14 0.000 0.00
C2H2+HO2 <=> CHCHO+OH 1.6e08 1.36 15420
CHCHO+O2=CH2O+CO+O 1.3E06 2.4202 1604
CH+O<=>CO+H 4.000e+13 0.000 0.00
CH+O2<=>HCO+O 1.770e+11 0.760 -478.01
CH+H2O<=>CH2O+H 1.170e+15 -0.750 0.00
CH+CO2<=>HCO+CO 4.800e+01 3.220 -3226.58
CH3O+H<=>CH2O+H2 2.000e+13 0.000 0.00
CH3O+H<=>S-CH2+H2O 1.600e+13 0.000 0.00
CH3O+OH<=>CH2O+H2O 5.000e+12 0.000 0.00
CH3O+O<=>OH+CH2O 1.000e+13 0.000 0.00
CH3O+O2<=>CH2O+HO2 4.280e-13 7.600 -3537.28
CH3O+M<=>CH2O+H+M 7.780e+13 0.000 13513.38
AR/0.70/ H2/2.00/ H2O/6.00/ CO/1.50/ CO2/2.00/ CH4/2.00/
C2H6+H<=>C2H5+H2 5.400e+02 3.500 5210.33
C2H6+O<=>C2H5+OH 1.400e+00 4.300 2772.47
C2H6+OH<=>C2H5+H2O 2.200e+07 1.900 1123.33
C2H6+CH3<=>C2H5+CH4 5.500e-01 4.000 8293.50
C2H6(+M)<=>C2H5+H(+M) 8.850e+20 -1.230 102222.75
AR/0.70/ H2/2.00/ H2O/6.00/ CO/1.50/ CO2/2.00/ CH4/2.00/ C2H6/3.00/
LOW / 4.900e+42 -6.430 107169.93 /
TROE/ 0.84 125 2219 6882 /
C2H6+HO2<=>C2H5+H2O2 1.320e+13 0.000 20469.89
C2H5+H<=>C2H4+H2 3.000e+13 0.000 0.00
C2H5+O<=>C2H4+OH 3.060e+13 0.000 0.00
C2H5+O<=>CH3+CH2O 4.240e+13 0.000 0.00
C2H5+O2<=>C2H4+HO2 7.500e+14 -1.000 4799.95
C2H5+O2<=>C2H4OOH 2.000e+12 0.000 0.00
C2H4OOH<=>C2H4+HO2 4.000e+34 -7.200 23000.00
C2H4OOH+O2<=>OC2H3OOH+OH 7.500e+05 1.300 -5799.95
OC2H3OOH<=>CH2O+HCO+OH 1.000e+15 0.000 43000.00
C2H5(+M)<=>C2H4+H(+M) 1.110e+10 1.037 36768.64
AR/0.70/ H2/2.00/ H2O/6.00/ CO/1.50/ CO2/2.00/ CH4/2.00/
LOW / 3.990e+33 -4.990 40000.00 /
TROE/ 0.168 1.2e+03 1e-30 /
C2H4+H<=>C2H3+H2 4.490e+07 2.120 13360.42
C2H4+OH<=>C2H3+H2O 5.530e+05 2.310 2963.67
C2H4+O<=>CH3+HCO 2.250e+06 2.080 0.00
C2H4+O<=>CH2CHO+H 1.210e+06 2.080 0.00
2 C2H4<=>C2H3+C2H5 5.010e+14 0.000 64700.05
C2H4+O2<=>C2H3+HO2 4.220e+13 0.000 57623.09
C2H4+HO2<=>C2H4O+OH 2.230e+12 0.000 17189.29
C2H4O+HO2<=>CH3+CO+H2O2 4.000e+12 0.000 17007.65
C2H4+M<=>C2H3+H+M 2.600e+17 0.000 96568.12
AR/0.70/ H2/2.00/ H2O/6.00/ CO/1.50/ CO2/2.00/ CH4/2.00/
C2H4+M<=>C2H2+H2+M 3.500e+16 0.000 71532.03
AR/0.70/ H2/2.00/ H2O/6.00/ CO/1.50/ CO2/2.00/ CH4/2.00/
C2H3+H<=>C2H2+H2 4.000e+13 0.000 0.00
C2H3(+M)<=>C2H2+H(+M) 6.380e+09 1.000 37626.67
AR/0.70/ H2/2.00/ H2O/6.00/ CO/1.50/ CO2/2.00/ CH4/2.00/
LOW / 1.510e+14 0.100 32685.95 /
TROE/ 0.3 1e+30 1e-30 /
C2H3+O2<=>CH2O+HCO 1.700e+29 -5.312 6503.11
C2H3+O2<=>CH2CHO+O 7.000e+14 -0.611 5262.43
C2H3+O2<=>C2H2+HO2 5.190e+15 -1.260 3312.62
C2H2+O<=>HCCO+H 4.000e+14 0.000 10659.66
C2H2+O<=>T-CH2+CO 1.600e+14 0.000 9894.84
C2H2+O2<=>CH2O+CO 4.600e+15 -0.540 44933.08
C2H2+OH<=>CH2CO+H 1.900e+07 1.700 999.04
C2H2+OH<=>C2H+H2O 3.370e+07 2.000 14000.96
CH2CO+H<=>CH3+CO 1.500e+09 1.430 2688.81
CH2CO+O<=>T-CH2+CO2 2.000e+13 0.000 2294.46
CH2CO+O<=>HCCO+OH 1.000e+13 0.000 2000.48
CH2CO+CH3<=>C2H5+CO 9.000e+10 0.000 0.00
HCCO+H<=>S-CH2+CO 1.500e+14 0.000 0.00
HCCO+OH<=>HCO+CO+H 2.000e+12 0.000 0.00
HCCO+O<=>2 CO+H 9.640e+13 0.000 0.00
HCCO+O2<=>2 CO+OH 2.880e+07 1.700 1001.43
HCCO+O2<=>CO2+CO+H 1.400e+07 1.700 1001.43
C2H+OH<=>HCCO+H 2.000e+13 0.000 0.00
C2H+O<=>CO+CH 1.020e+13 0.000 0.00
C2H+O2<=>HCCO+O 6.020e+11 0.000 0.00
C2H+O2<=>CH+CO2 4.500e+15 0.000 25095.60
C2H+O2<=>HCO+CO 2.410e+12 0.000 0.00
CH2OH+H<=>CH2O+H2 3.000e+13 0.000 0.00
CH2OH+H<=>CH3+OH 2.500e+17 -0.930 5126.91
CH2OH+OH<=>CH2O+H2O 2.400e+13 0.000 0.00
CH2OH+O2<=>CH2O+HO2 5.000e+12 0.000 0.00
CH2OH+M<=>CH2O+H+M 5.000e+13 0.000 25119.50
AR/0.70/ H2/2.00/ H2O/6.00/ CO/1.50/ CO2/2.00/ CH4/2.00/
CH3O+M<=>CH2OH+M 1.000e+14 0.000 19120.46
AR/0.70/ H2/2.00/ H2O/6.00/ CO/1.50/ CO2/2.00/ CH4/2.00/
CH2CO+OH<=>CH2OH+CO 1.020e+13 0.000 0.00
CH3OH+OH<=>CH2OH+H2O 1.440e+06 2.000 -838.91
CH3OH+OH<=>CH3O+H2O 4.400e+06 2.000 1505.74
CH3OH+H<=>CH2OH+H2 1.354e+03 3.200 3490.68
CH3OH+H<=>CH3O+H2 6.830e+01 3.400 7239.96
CH3OH+O<=>CH2OH+OH 3.880e+05 2.500 3080.78
CH3OH+HO2<=>CH2OH+H2O2 8.000e+13 0.000 19383.37
CH3OH+O2<=>CH2OH+HO2 2.000e+13 0.000 44933.08
CH3OH(+M)<=>CH3+OH(+M) 1.900e+16 0.000 91729.92
AR/0.70/ H2/2.00/ H2O/6.00/ CO/1.50/ CO2/2.00/ CH4/2.00/
LOW / 2.950e+44 -7.350 95460.09 /
TROE/ 0.414 2.8e+02 5.5e+03 /
CH2CHO<=>CH2CO+H 1.047e+37 -7.189 44340.34
CH2CHO+H<=>CH3+HCO 5.000e+13 0.000 0.00
CH2CHO+H<=>CH2CO+H2 2.000e+13 0.000 0.00
CH2CHO+O<=>CH2O+HCO 1.000e+14 0.000 0.00
CH2CHO+OH<=>CH2CO+H2O 3.000e+13 0.000 0.00
CH2CHO+O2<=>CH2O+CO+OH 3.000e+10 0.000 0.00
CH2CHO+CH3<=>C2H5+CO+H 4.900e+14 -0.500 0.00
CH2CHO+HO2<=>CH2O+HCO+OH 7.000e+12 0.000 0.00
CH2CHO+HO2<=>CH3CHO+O2 3.000e+12 0.000 0.00
CH2CHO<=>CH3+CO 1.170e+43 -9.800 43799.95
CH3CHO<=>CH3+HCO 7.000e+15 0.000 81700.05
CH3CO(+M)<=>CH3+CO(+M) 3.000e+12 0.000 16700.05
AR/0.70/ H2/2.00/ H2O/6.00/ CO/1.50/ CO2/2.00/ CH4/2.00/
LOW / 1.200e+15 0.000 12500.00 /
TROE/ 1 1 1e+07 1e+07 /
CH3CHO+OH<=>CH3CO+H2O 3.370e+12 0.000 -619.98
CH3CHO+OH<=>CH2CHO+H2O 3.370e+11 0.000 -619.98
CH3CHO+O<=>CH3CO+OH 1.770e+18 -1.900 2979.92
CH3CHO+O<=>CH2CHO+OH 3.720e+13 -0.200 3559.99
CH3CHO+H<=>CH3CO+H2 4.660e+13 -0.300 2989.96
CH3CHO+H<=>CH2CHO+H2 1.850e+12 0.400 5359.94
CH3CHO+CH3<=>CH3CO+CH4 3.900e-07 5.800 2200.05
CH3CHO+CH3<=>CH2CHO+CH4 2.450e+01 3.100 5729.92
CH3CHO+HO2<=>CH3CO+H2O2 3.600e+19 -2.200 14000.00
CH3CHO+HO2<=>CH2CHO+H2O2 2.320e+11 0.400 14900.10
CH3CHO+O2<=>CH3CO+HO2 1.000e+14 0.000 42200.05
C2H5OH(+M)<=>CH3+CH2OH(+M) 5.000e+15 0.000 82000.00
AR/0.70/ H2/2.00/ H2O/6.00/ CO/1.50/ CO2/2.00/ CH4/2.00/
LOW / 3.000e+16 0.000 58000.00 /
TROE/ 0.5 1e-30 1e+30 /
C2H5OH(+M)<=>C2H4+H2O(+M) 8.000e+13 0.000 65000.00
AR/0.70/ H2/2.00/ H2O/6.00/ CO/1.50/ CO2/2.00/ CH4/2.00/
LOW / 1.000e+17 0.000 54000.00 /
TROE/ 0.5 1e-30 1e+30 /
C2H5OH+OH<=>CH2CH2OH+H2O 1.810e+11 0.400 717.02
C2H5OH+OH<=>CH3CHOH+H2O 3.090e+10 0.500 -380.02
C2H5OH+OH<=>CH3CH2O+H2O 1.050e+10 0.800 717.02
C2H5OH+H<=>CH2CH2OH+H2 1.900e+07 1.800 5099.90
C2H5OH+H<=>CH3CHOH+H2 2.580e+07 1.600 2830.07
C2H5OH+H<=>CH3CH2O+H2 1.500e+07 1.600 3039.91
C2H5OH+O<=>CH2CH2OH+OH 9.410e+07 1.700 5460.09
C2H5OH+O<=>CH3CHOH+OH 1.880e+07 1.900 1820.03
C2H5OH+O<=>CH3CH2O+OH 1.580e+07 2.000 4450.05
C2H5OH+CH3<=>CH2CH2OH+CH4 2.190e+02 3.200 9619.98
C2H5OH+CH3<=>CH3CHOH+CH4 7.280e+02 3.000 7950.05
C2H5OH+CH3<=>CH3CH2O+CH4 1.450e+02 3.000 7650.10
C2H5OH+HO2<=>CH3CHOH+H2O2 8.200e+03 2.500 10799.95
C2H5OH+HO2<=>CH2CH2OH+H2O2 2.430e+04 2.500 15799.95
C2H5OH+HO2<=>CH3CH2O+H2O2 3.800e+12 0.000 24000.00
C2H4+OH<=>CH2CH2OH 2.410e+11 0.000 -2380.02
C2H5+HO2<=>CH3CH2O+OH 4.000e+13 0.000 0.00
CH3CH2O+M<=>CH3CHO+H+M 5.600e+34 -5.900 25299.95
AR/0.70/ H2/2.00/ H2O/6.00/ CO/1.50/ CO2/2.00/ CH4/2.00/
CH3CH2O+M<=>CH3+CH2O+M 5.350e+37 -7.000 23799.95
AR/0.70/ H2/2.00/ H2O/6.00/ CO/1.50/ CO2/2.00/ CH4/2.00/
CH3CH2O+O2<=>CH3CHO+HO2 4.000e+10 0.000 1099.90
CH3CH2O+CO<=>C2H5+CO2 4.680e+02 3.200 5380.02
CH3CH2O+H<=>CH3+CH2OH 3.000e+13 0.000 0.00
CH3CH2O+H<=>C2H4+H2O 3.000e+13 0.000 0.00
CH3CH2O+OH<=>CH3CHO+H2O 1.000e+13 0.000 0.00
CH3CHOH+O2<=>CH3CHO+HO2 4.820e+13 0.000 5020.08
CH3CHOH+O<=>CH3CHO+OH 1.000e+14 0.000 0.00
CH3CHOH+H<=>C2H4+H2O 3.000e+13 0.000 0.00
CH3CHOH+H<=>CH3+CH2OH 3.000e+13 0.000 0.00
CH3CHOH+HO2<=>CH3CHO+2 OH 4.000e+13 0.000 0.00
CH3CHOH+OH<=>CH3CHO+H2O 5.000e+12 0.000 0.00
CH3CHOH+M<=>CH3CHO+H+M 1.000e+14 0.000 25000.00
AR/0.70/ H2/2.00/ H2O/6.00/ CO/1.50/ CO2/2.00/ CH4/2.00/
C3H4+O<=>C2H4+CO 2.000e+07 1.800 1000.00
CH3+C2H2<=>C3H4+H 2.560e+09 1.100 13643.88
C3H4+O<=>HCCO+CH3 7.300e+12 0.000 2250.00
C3H3+H(+M)<=>C3H4(+M) 3.000e+13 0.000 0.00
LOW / 9.000e+15 1.000 0.00 /
TROE/ 0.5 1e+30 1e-30 /
C3H3+HO2<=>C3H4+O2 2.500e+12 0.000 0.00
C3H4+OH<=>C3H3+H2O 5.300e+06 2.000 2000.00
C3H3+O2<=>CH2CO+HCO 3.000e+10 0.000 2868.07
C3H4+H(+M)<=>C3H5(+M) 4.000e+13 0.000 0.00
LOW / 3.000e+24 -2.000 0.00 /
TROE/ 0.8 1e+30 1e-30 /
C3H5+H<=>C3H4+H2 1.800e+13 0.000 0.00
C3H5+O2<=>C3H4+HO2 4.990e+15 -1.400 22428.06
C3H5+CH3<=>C3H4+CH4 3.000e+12 -0.320 -130.98
C2H2+CH3(+M)<=>C3H5(+M) 6.000e+08 0.000 0.00
LOW / 2.000e+09 1.000 0.00 /
TROE/ 0.5 1e+30 1e-30 /
C3H5+OH<=>C3H4+H2O 6.000e+12 0.000 0.00
C3H3+HCO<=>C3H4+CO 2.500e+13 0.000 0.00
C3H3+HO2<=>OH+CO+C2H3 8.000e+11 0.000 0.00
C3H4+O2<=>CH3+HCO+CO 4.000e+14 0.000 41826.00
C3H6+O<=>C2H5+HCO 3.500e+07 1.650 -972.75
C3H6+OH<=>C3H5+H2O 3.100e+06 2.000 -298.28
C3H6+O<=>CH2CO+CH3+H 1.200e+08 1.650 327.44
C3H6+H<=>C3H5+H2 1.700e+05 2.500 2492.83
C3H5+H(+M)<=>C3H6(+M) 2.000e+14 0.000 0.00
AR/0.70/ H2/2.00/ H2O/6.00/ CO/1.50/ CO2/2.00/ CH4/2.00/ C2H6/3.00/
LOW / 1.330e+60 -12.000 5967.97 /
TROE/ 0.02 1097 1097 6860 /
C3H5+HO2<=>C3H6+O2 2.660e+12 0.000 0.00
C3H5+HO2<=>OH+C2H3+CH2O 3.000e+12 0.000 0.00
C2H3+CH3(+M)<=>C3H6(+M) 2.500e+13 0.000 0.00
AR/0.70/ H2/2.00/ H2O/6.00/ CO/1.50/ CO2/2.00/ CH4/2.00/ C2H6/3.00/
LOW / 4.270e+58 -11.940 9770.55 /
TROE/ 0.175 1341 6e+04 1.014e+04 /
C3H6+H<=>C2H4+CH3 1.600e+22 -2.390 11185.47
CH3+C2H3<=>C3H5+H 1.500e+24 -2.830 18618.55
C3H8(+M)<=>CH3+C2H5(+M) 1.100e+17 0.000 84392.93
LOW / 7.830e+18 0.000 64978.01 /
TROE/ 0.76 1.9e+03 38 /
C3H8+O2<=>I-C3H7+HO2 4.000e+13 0.000 47500.00
C3H8+O2<=>N-C3H7+HO2 4.000e+13 0.000 50932.12
C3H8+H<=>I-C3H7+H2 1.300e+06 2.400 4471.08
C3H8+H<=>N-C3H7+H2 1.330e+06 2.540 6761.47
C3H8+O<=>I-C3H7+OH 4.760e+04 2.710 2107.31
C3H8+O<=>N-C3H7+OH 1.900e+05 2.680 3718.45
C3H8+OH<=>N-C3H7+H2O 1.000e+10 1.000 1599.90
C3H8+OH<=>I-C3H7+H2O 2.000e+07 -1.600 -99.90
C3H8+HO2<=>I-C3H7+H2O2 9.640e+03 2.600 13917.30
C3H8+HO2<=>N-C3H7+H2O2 4.760e+04 2.550 16491.40
I-C3H7+C3H8<=>N-C3H7+C3H8 8.400e-03 4.200 8675.91
C3H6+H(+M)<=>I-C3H7(+M) 1.330e+13 0.000 1560.71
AR/0.70/ H2/2.00/ H2O/6.00/ CO/1.50/ CO2/2.00/ CH4/2.00/ C2H6/3.00/
LOW / 8.700e+42 -7.500 4732.31 /
TROE/ 1 1000 645.4 6844 /
I-C3H7+O2<=>C3H6+HO2 1.300e+11 0.000 0.00
N-C3H7(+M)<=>CH3+C2H4(+M) 1.230e+13 -0.100 30210.33
LOW / 5.490e+49 -10.000 35778.92 /
TROE/ -1.17 251 1e-15 1185 /
H+C3H6(+M)<=>N-C3H7(+M) 1.330e+13 0.000 3260.04
AR/0.70/ H2/2.00/ H2O/6.00/ CO/1.50/ CO2/2.00/ CH4/2.00/ C2H6/3.00/
LOW / 6.260e+38 -6.660 7000.48 /
TROE/ 1 1000 1310 4.81e+04 /
N-C3H7+O2<=>C3H6+HO2 3.500e+16 -1.600 3500.00
N-C3H7+O2<=>C3H6OOH 2.000e+12 0.000 0.00
C3H6OOH<=>C3H6+HO2 2.500e+35 -8.300 22000.00
C3H6OOH+O2<=>OC3H5OOH+OH 1.500e+08 0.000 -7000.00
OC3H5OOH<=>CH2CHO+CH2O+OH 1.000e+15 0.000 43000.00
C4H10(+M)<=>2C2H5(+M) 2.720e+15 0.000 75609.94
LOW / 4.720e+18 0.000 49580.07 /
TROE/ 0.72 1500.00 1.0000E-10 1.0000E+10 /
C4H10+O2<=>PC4H9+HO2 6.000e+13 0.000 52340.11
C4H10+O2<=>SC4H9+HO2 4.000e+13 0.000 49799.95
C4H10+HO2<=>PC4H9+H2O2 4.080e+01 3.590 17159.89
C4H10+HO2<=>SC4H9+H2O2 1.264e+02 3.370 13719.89
C4H10+O<=>PC4H9+OH 1.130E+14 0.000 7850.00
C4H10+O<=>SC4H9+OH 5.620E+13 0.000 5200.00
C4H10+OH<=>PC4H9+H2O 1.054e+10 0.970 1586.04
C4H10+OH<=>SC4H9+H2O 9.340e+07 1.610 -34.89
C4H10+H<=>H2+PC4H9 2.8000E+06 2.540 6965.4
C4H10+H<=>H2+SC4H9 1.6900E+06 2.400 4493.0
PC4H9<=>C2H5+C2H4 3.504e+12 0.463 29469.89
SC4H9<=>C3H6+CH3 4.803e+10 1.044 30349.90
C4H8<=>C3H5+CH3 1.000e+16 0.000 72896.75
C4H8+H<=>H2+C2H3+C2H4 6.600e+05 2.540 6763.86
SC4H9+O2<=>SC4H9O2 7.500e+12 0.000 0.00
SC4H9O2<=>C4H8+HO2 5.075E+42 -9.410 41490.00
PC4H9+O2<=>C4H8+HO2 8.370e-01 3.590 12000.00
PC4H9+O2<=>C4H8OOH1-3 2.000E+12 0.000 0.00
C4H8OOH1-3<=>C4H8+HO2 2.000E+12 0.000 24000.00
C4H8OOH1-3+O2<=>NC4KET13+OH 3.500E+00 2.234 -16560.00
NC4KET13<=>N-C3H7+CO2+OH 3.000E+16 0.000 41500.00
END