ELEMENTS H O C N END SPECIE C7H16 O2 N2 CO CO2 H H2 O H2O OH HO2 H2O2 CH4 CH3 CH3O CH2 CH2O CH3O2 CH4O2 HCO HCCO CH2CO C7H15-1 C7H15-2 C7H15O2 C7H14O2H C7H14O2HO2 C7KET21 C6H12 C5H11CHO C5H11CO C5H11 C4H9 C4H C4H2 C4H3 C3H7 C3H6 C3H5 C3H4 C3H3 C3H2 C2H C2H2 C2H3 C2H4 C2H5 C2H6 N2O NO N C3H8 CH2CHO CH3CHO CH3CO CH2OH END REACTIONS C7H16 + O2 = C7H15-1 + HO2 2.500E+13 0.0 48810.0! 1 C7H16 + O2 = C7H15-2 + HO2 2.800E+14 0.0 47180.0! 2 C7H16 + H = C7H15-1 + H2 5.600E+07 2.0 7667.0! 3 C7H16 + H = C7H15-2 + H2 4.380E+07 2.0 4750.0! 4 C7H16 + OH = C7H15-1 + H2O 8.600E+09 1.10 1815.0! 5 C7H16 + OH = C7H15-2 + H2O 4.800E+09 1.30 690.5! 6 C7H16 + HO2 = C7H15-1 + H2O2 8.000E+12 0.0 19300.0! 7 C7H16 + HO2 = C7H15-2 + H2O2 1.000E+13 0.0 16950.0! 8 C7H16 + CH3 = C7H15-1 + CH4 1.300E+12 0.0 1.160E+4! 9 C7H16 + CH3 = C7H15-2 + CH4 8.000E+11 0.0 9.500E+3! 10 C7H16 = C7H15-1 + H 3.972E+19 -0.95 1.032E+5! 11 C7H16 = C7H15-2 + H 1.248E+21 -1.34 1.007E+5! 12 C7H16 = C4H9 + C3H7 2.000E+16 0.0 80710.0! 13 ! C7H15-1 + O2 = C7H15O2 2.000E+12 0.0 0.0! 14 C7H15-2 + O2 = C7H15O2 2.000E+12 0.0 0.0! 15 C7H15O2 = C7H14O2H 6.000E+11 0.0 20380.0! 16 C7H14O2H + O2 = C7H14O2HO2 2.340E+11 0.0 0.0! 17 C7H14O2HO2 = C7KET21 + OH 2.965E+13 0.0 2.670E+4! 18 C7KET21 = C5H11CO + CH2O + OH 1.000E+16 0.0 4.240E+4! 19 C5H11CHO + O2 = C5H11CO + HO2 2.000E+13 0.5 4.220E+4! 20 C5H11CHO + OH = C5H11CO + H2O 1.000E+13 0.0 0.000E+0! 21 C5H11CHO + H = C5H11CO + H2 4.000E+13 0.0 4.200E+3! 22 C5H11CHO + O = C5H11CO + OH 5.000E+12 0.0 1.790E+3! 23 C5H11CHO + HO2 = C5H11CO + H2O2 2.800E+12 0.0 1.360E+4! 24 C5H11CHO + CH3 = C5H11CO + CH4 1.700E+12 0.0 8.440E+3! 25 C5H11CHO + CH3O2 = C5H11CO + CH4O2 1.000E+12 0.0 9.500E+3! 26 C5H11CO = C5H11 + CO 1.000E+11 0.0 9.600E+3! 27 C5H11 = C2H5 + C3H6 3.200E+13 0.0 28300.0! 28 C7H15-1 = C2H4 + C5H11 2.500E+13 0.0 28810.0! 29 C7H15-2 = CH3 + C6H12 3.000E+13 0.0 29800.0! 30 C6H12 = C3H7 + C3H5 1.000E+16 0.0 68000.0! 31 C7H15-2 = C4H9 + C3H6 1.200E+13 0.0 29600.0! 32 C7H15-1 = C7H15-2 2.000E+11 0.0 18100.0! 33 C4H9 = C3H6 + CH3 2.232E+17 -1.40 30830.0! 34 C4H9 = C2H5 + C2H4 2.500E+13 0.0 28810.0! 35 C3H7 = C2H4 + CH3 9.600E+13 0.0 30950.0! 36 C3H7 = C3H6 + H 1.250E+14 0.0 36900.0! 37 C3H7 + O2 = C3H6 + HO2 1.000E+12 0.0 4980.0! 38 C3H6 = C2H3 + CH3 6.150E+15 0.0 85500.0! 39 ! 3.15 C3H6 + H = C3H5 + H2 5.000E+12 0.0 1500.0! 40 C3H6 + CH3 = C3H5 + CH4 9.000E+12 0.0 8480.0! 41 C3H6 + O2 = C3H5 + HO2 4.000E+12 0.0 39900.0! 42 C3H6 + OH = CH3CHO + CH3 3.500E+11 0.0 0.0! 43 C3H5 = C3H4 + H 4.000E+13 0.0 69760.0! 44 C3H5 + H = C3H4 + H2 1.000E+13 0.0 0.0! 45 C3H5 + O2 = C3H4 + HO2 6.000E+11 0.0 10000.0! 46 C3H4 + OH = C2H3 + CH2O 1.000E+12 0.0 0.0! 47 C3H4 + OH = C2H4 + HCO 1.000E+12 0.0 0.0! 48 C3H4 + O2 = C3H3 + HO2 4.000E+13 0.0 39160.0! 49 ! C2H5 + O = CH3CHO + H 5.300E+13 0.0 0.0! 50 C2H4 + HO2 = CH3CHO + OH 2.200E+13 0.0 17200.0! 51 C2H4 + CH3O = CH3CHO + CH3 3.000E+13 0.0 14500.0! 52 C2H4 + CH3O2 = CH3CHO + CH3O 7.000E+13 0.0 14500.0! 53 !C2H3 + OH = CH3CHO 3.000E+13 0.0 0.0! CH3CHO = CH3 + HCO 7.080E+15 0.00 81760. ! 54 !CH3CHO = CH3CO + H 5.000E+14 0.00 87860. ! CH3CO + M = CH3 + CO + M 1.800E+16 0.00 1.44E+4! 55 CH3CHO + O2 = CH3CO + HO2 2.000E+13 0.50 42200. ! 56 CH3CHO + H = CH3CO + H2 4.100E+13 0.00 4200. ! 57 CH3CHO + OH = CH3CO + H2O 1.000E+13 0.00 0. ! 58 CH3CHO + O = CH3CO + OH 5.800E+12 0.00 1790. ! 59 CH3CHO + CH3 = CH3CO + CH4 1.700E+12 0.0 8440.0! 60 CH3CHO + CH2 = CH3CO + CH3 1.660E+12 0.0 3510. ! 61 CH3CHO + HO2 = CH3CO + H2O2 1.700E+12 0.00 10700. ! 62 CH3CHO + CH3O2 = CH3CO + CH4O2 1.150E+11 0.0 10000.0! 63 CH3CO + O = CH3 + CO2 1.000E+13 0.00 0. ! 64 CH3CO + H = CH3 + HCO 1.000E+14 0.0 0. ! 65 CH3CO + OH = CH3 + CO + OH 3.000E+13 0.0 0. ! 66 CH3CO + HO2 = CH3 + CO2 + OH 3.000E+13 0.0 0. ! 67 CH3CO + CH3 = C2H6 + CO 5.000E+13 0.00 0. ! 68 ! CH3O + CO = CH3 + CO2 1.570E+14 0.00 11800. ! 69 CH3O + H = CH2O + H2 2.000E+13 0.00 0. ! 70 CH3O + OH = CH2O + H2O 1.000E+13 0.00 0. ! 71 CH3O + O = CH2O + OH 1.000E+13 0.00 0. ! 72 CH3O + O2 = CH2O + HO2 1.200E+11 0.00 2600. ! 73 CH3O (+M) = CH2O + H (+M) 2.000E+13 0.00 27420.0! 74 LOW /2.344E+25 -2.7 3.060E+04/ CH3 + HO2 = CH3O + OH 4.300E+13 0.00 0. ! 75 CH3 + O2 = CH3O + O 3.670E+13 0.00 30000. ! 76 CH3 + O2 = CH2O + OH 4.800E+10 0.00 9000. ! 77 4.8 9000 CH3 + O2 = CH3O2 3.020E+59 -15.0 17204. ! 78 3.02 ! CH3O2 + HO2 = CH4O2 + O2 4.630E+11 0.0 -2583. ! 79 CH3O2 + CH4 = CH4O2 + CH3 1.810E+11 0.0 18480. ! 80 CH3O2 + CH3 = CH3O + CH3O 2.410E+13 0.0 0. ! 81 2.410E+13 CH3O2 + O = CH3O + O2 3.610E+13 0.0 0. ! 82 CH3O2 + H = CH3O + OH 9.640E+13 0.0 0. ! 83 CH3O2 + CH2O = CH4O2 + HCO 1.000E+12 0.0 11665. ! 84 CH3O2 + C2H6 = CH4O2 + C2H5 2.950E+11 0.0 14944. ! 85 CH3O2 + CH3O2 = CH3O + CH3O + O2 2.800E+11 0.0 -780. ! 86 11 CH3O2 + H2O2 = CH4O2 + HO2 2.400E+12 0.0 10000. ! 87 CH4O2 = CH3O + OH 3.000E+16 0.0 42920. ! 88 6.000E+16 CH3O2 + C2H4 = C2H3 + CH4O2 7.100E+11 0.0 17110. ! 89 CH4O2 + OH = CH3O2 + H2O 1.000E+13 0.0 -258. ! 90 ! 8.2 CH4O2 + O = CH3O2 + OH 2.000E+13 0.0 4750. ! 91 CH3 + O = CH2O + H 8.000E+13 0.00 0. ! 92 CH3 + OH = CH2 + H2O 7.500E+06 2.00 5000. ! 93 CH3 + OH = CH2O + H2 4.000E+12 0.00 0. ! 94 CH3O + H = CH3 + OH 1.000E+14 0.00 0. ! 95 CO + O + M = CO2 + M 6.170E+14 0.00 3000. ! 96 CO + OH = CO2 + H 3.510E+07 1.30 -758. ! 97 CO + O2 = CO2 + O 1.600E+13 0.00 41000. ! 98 HO2 + CO = CO2 + OH 5.800E+13 0.00 22930. ! 99 ! H2 + O2 = OH + OH 1.700E+13 0.00 47780. !100 H2 + OH = H2O + H 1.170E+09 1.30 3626. !101 O + OH = O2 + H 4.000E+14 -0.50 0. !102 O + H2 = OH + H 5.060E+04 2.67 6290. !103 H + HO2 = O + H2O 3.100E+10 0.00 3590. !104 O + OH + M = HO2 + M 1.000E+16 0.00 0. !105 H2O/6.0/ CO2/5.0/ H2/3.3/ CO/2.0/ N2/0.70/ H + O2 + M = HO2 + M 2.800E+18 -.86 0.0!106 O2/ .00/ H2O/ .00/ CO/ .75/ CO2/1.50/ C2H6/1.50/ N2/0.0/ H + O2 + O2 = HO2 + O2 2.080E+19 -1.24 0.0!107 H + O2 + H2O = HO2 + H2O 11.26E+18 -.76 0.0!108 H + O2 + N2 = HO2 + N2 2.600E+19 -1.24 0.0!109 OH + HO2 = H2O + O2 7.500E+12 0.00 0. !110 H + HO2 = OH + OH 1.700E+14 0.0 875. !111 O + HO2 = O2 + OH 1.400E+13 0.00 1073. !112 OH + OH = O + H2O 6.000E+08 1.30 0. !113 H + H + M = H2 + M 1.000E+18 -1.00 0. !114 H2/0./ H2O/0./ CO2/0./ H + H + H2 = H2 + H2 9.200E+16 -0.60 0. !115 H + H + H2O = H2 + H2O 6.000E+19 -1.25 0. !116 H + H + CO2 = H2 + CO2 5.490E+20 -2.00 0. !117 H + OH + M = H2O + M 1.600E+22 -2.00 0. !118 H + O + M = OH + M 6.200E+16 -0.60 0. !119 O + O + M = O2 + M 1.890E+13 0.00 -1788. !120 H + HO2 = H2 + O2 1.250E+13 0.00 0. !121 HO2 + HO2 = H2O2 + O2 2.000E+12 0.00 0. !122 OH + OH (+M) = H2O2 (+M) 7.600E+13 -.37 0. !123 LOW / 4.300E+18 -.900 -1700.00/ TROE/ .7346 94.00 1756.00 5182.00 / H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ N2/0.70/ H2O2 + H = HO2 + H2 1.600E+12 0.00 3800. !124 H2O2 + OH = H2O + HO2 1.000E+13 0.00 1800. !125 H2O2 + H = H2O + OH 1.000E+13 0.00 3590. !126 H2O2 + O = H2O + O2 8.400E+11 0.00 4260. !127 H2O2 + O = OH + HO2 2.000E+13 0.00 5900. !128 H2 + HO2 = H2O + OH 6.500E+11 0.00 18800. !129 ! CO2 + N = NO + CO 1.900E+11 0.00 3400. !130 N2O + O = N2 + O2 1.400E+12 0.00 10810. !131 N2O + O = NO + NO 2.900E+13 0.00 23150. !132 N2O + H = N2 + OH 4.400E+14 0.00 18880. !133 N2O + OH = N2 + HO2 2.000E+12 0.00 21060. !134 N2O + M = N2 + O + M 1.300E+11 0.00 59620. !135 N + NO = N2 + O 3.270E+12 0.30 0. !136 N + O2 = NO + O 6.400E+09 1.00 6280. !137 N + OH = NO + H 7.333E+13 0.00 1120. !138 ! CH2O + O2 = HCO + HO2 6.200E+13 0.00 39000. !139 CH2O + O = HCO + OH 4.100E+11 0.57 2760. !140 4.1 CH2O + H = HCO + H2 2.190E+08 1.80 3000. !141 CH2O + OH = HCO + H2O 2.430E+10 1.18 -447. !142 CH2O + HO2 = HCO + H2O2 3.000E+12 0.00 8000. !143 CH2O + M = CO + H2 + M 6.250E+15 0.00 69540. !144 CH2O + M = HCO + H + M 3.300E+16 0.00 81000. !145 !H2 + CO = CH2O 4.300E+07 1.50 79600. ! HCO + HCO = CH2O + CO 3.010E+13 0.00 0. !146 HCO + OH = H2O + CO 1.000E+14 0.00 0. !147 HCO + H = H2 + CO 1.190E+13 0.30 0. !148 HCO + O = OH + CO 3.000E+13 0.00 0. !149 HCO + O = H + CO2 3.000E+13 0.00 0. !150 HCO + O2 = HO2 + CO 3.300E+13 -0.40 0. !151 HCO + M = H + CO + M 1.870E+17 -1.00 17000. !152 !HCO + H + M = CH2O + M 1.000E+12 0.48 -260. ! HCO + HO2 = CO2 + OH + H 3.000E+13 0.00 0. !153 CH4 + O2 = CH3 + HO2 7.900E+13 0.00 56000. !154 !CH3 + HO2 = CH4 + O2 1.000E+12 0.00 0. ! CH4 + H = CH3 + H2 6.600E+08 1.60 10840. !155 CH4 + OH = CH3 + H2O 1.600E+06 2.10 2460. !156 CH4 + O = CH3 + OH 1.020E+09 1.50 8604. !157 CH4 + HO2 = CH3 + H2O2 1.000E+13 0.00 18700. !158 CH4 + CH2 = CH3 + CH3 4.000E+12 0.00 -570. !159 CH3 + CH2O = CH4 + HCO 5.500E+03 2.80 6000. !160 CH3 + HCO = CH4 + CO 1.200E+14 0.00 0. !161 CH3 + H = CH4 1.900E+36 -7.00 9050. !162 CH3 + H = CH2 + H2 9.000E+13 0.00 15100. !163 CH3 + CH3O = CH4 + CH2O 3.300E+14 0.00 0. !164 3.3 !CH3 + CH3 = C2H6 2.700D+53 -12.0 19400. ! CH3 + CH3 (+M) = C2H6 (+M) 2.120E+16 -0.97 620. !165 LOW / 1.770E+50 -9.670 6220.00/ TROE/ 0.5325 151.00 1038.00 4970.00 / H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ N2/0.7/ CH3 + CH3 = C2H5 + H 4.990E+12 .100 10600. !166 !CH2 + H2 = CH3 + H 5.000E+05 2.00 7230. ! CH2 + OH = CH2O + H 2.500E+13 0.00 0. !167 CH2 + O2 = HCO + OH 4.300E+10 0.00 -500. !168 CH2 + O2 = CO2 + H2 6.900E+11 0.00 500. !169 CH2 + O2 = CO + H2O 2.000E+10 0.00 -1000. !170 CH2 + O2 = CH2O + O 5.000E+13 0.00 9000. !171 CH2 + O2 = CO2 + H + H 1.600E+12 0.00 1000. !172 CH2 + O2 = CO + OH + H 8.600E+10 0.00 -500. !173 CH2 + CH2 = C2H2 + H2 1.200E+13 0.0 800. !174 CH2 + CH2 = C2H2 + H + H 1.200E+14 0.0 800. !175 CH2 + CO2 = CH2O + CO 1.000E+11 0.00 1000. !176 CH3 + HCO = CH2O + CH2 3.000E+13 0.00 0. !177 CH3 + C2H4 = CH4 + C2H3 6.620E+00 3.70 9482. !178 CH3 + CH3 = C2H4 + H2 1.000E+15 0.00 31000. !179 CH3 + CH2 = C2H4 + H 3.000E+13 0.00 -570. !180 C2H4 + H = C2H3 + H2 1.100E+14 0.00 8500. !181 C2H4 + O = CH3 + HCO 1.600E+09 1.20 746. !182 C2H4 + O = CH2O + CH2 3.000E+04 1.88 180. !183 C2H4 + O = C2H3 + OH 1.510E+07 1.91 3790. !184 C2H4 + OH = CH2O + CH3 6.000E+13 0.0 960. !185 ! 13 C2H4 + HO2 = C2H3 + H2O2 7.100E+11 0.0 17110. !186 C2H4 + OH = C2H3 + H2O 6.020E+13 0.00 5955. !187 ! 6.02 5955 C2H4 + M = C2H2 + H2 + M 1.500E+15 0.00 55800. !188 C2H4 + M = C2H3 + H + M 2.600E+17 0.0 96570. !189 C2H4 + H = C2H5 2.600E+43 -9.25 52580. !190 C2H6 + O2 = C2H5 + HO2 1.000E+13 0.00 48960. !191 C2H5 + O2 = C2H4 + HO2 2.000E+10 0.0 -2200. !192 C2H4 + O2 = C2H3 + HO2 4.200E+14 0.00 57590. !193 ! 14 C2H4 + C2H4 = C2H5 + C2H3 5.000E+14 0.0 64700. !194 ! 14 C2H5 + HO2 = C2H4 + H2O2 3.000E+11 0.00 0. !195 C2H2 + O2 = HCO + HCO 4.000E+12 0.00 28000. !196 2.0 C2H2 + O = CH2 + CO 1.020E+07 2.00 1900. !197 C2H2 + H + M = C2H3 + M 5.540E+12 0.00 2410. !198 C2H3 + H = C2H2 + H2 4.000E+13 0.00 0. !199 C2H3 + O2 = CH2O + HCO 4.000E+12 0.00 -250. !200 C2H3 + OH = C2H2 + H2O 3.000E+13 0.00 0. !201 C2H3 + CH2 = C2H2 + CH3 3.000E+13 0.00 0. !202 C2H3 + HCO = C2H4 + CO 6.034E+13 0.0 0. !203 C2H3 + C2H3 = C2H2 + C2H4 1.450E+13 0.0 0. !204 C2H3 + O = C2H2 + OH 1.000E+13 0.0 0. !205 C2H2 + OH = CH3 + CO 4.830E-04 4.00 -2000. !206 C2H2 + CH2 = C3H3 + H 1.200E+13 0.0 6620. !207 C3H3 + OH = C3H2 + H2O 1.000E+13 0.0 0. !208 C3H3 + O = CH2O + C2H 1.000E+13 0.0 0. !209 C2H3 = C2H2 + H 4.600E+40 -8.80 46200. !210 ! C2H2 = C2H + H 2.373E+32 -5.28 130688. !211 C2H + O2 = HCO + CO 5.000E+13 0.00 1500. !212 C2H + H2 = H + C2H2 4.900E+05 2.50 560.0 !213 C2H2 + O = C2H + OH 4.600E+19 -1.41 28950.0 !214 C2H2 + OH = C2H + H2O 3.370E+07 2.00 14000.0 !215 C2H2 + C2H = C4H2 + H 9.600E+13 0.00 0.0 !216 C3H4 + O = C2H3 + HCO 3.200E+12 0.00 2.01E+3!217 C3H4 + O = C2H4 + CO 3.200E+12 0.00 2.01E+3!218 C3H4 + O = HCCO + CH3 6.300E+12 0.00 2.01E+3!219 ! ! Reactions of C4H and C4H2 ! C4H + H2 = H + C4H2 4.900E+05 2.5 560.0 !220 C4H2 + OH = C4H + H2O 3.370E+07 2.0 14000.0 !221 C4H2 + O = C3H2 + CO 2.700E+13 0.0 1720.0 !222 Wellman C3H2 + O = C2H2 + CO 6.800E+13 0.0 0.0 !223 C3H2 + OH = HCO + C2H2 6.800E+13 0.0 0.0 !224 C2H2 + C2H = C4H3 4.500E+37 -7.68 7100.0 !225 C3H2 + CH2 = C4H3 + H 5.000E+13 0.0 0.0 !226 C4H2 + H = C4H3 1.100E+42 -8.72 15300.0 !227 C4H3 + H = C2H2 + C2H2 6.300E+25 -3.34 10014.0 !228 C4H3 + H = C4H2 + H2 1.500E+13 0.00 0.0 !229 C4H3 + OH = C4H2 + H2O 2.500E+12 0.00 0.0 !230 ! C2H2 + HCCO = C3H3 + CO 1.000E+11 0.000 3000.0 !231 Miller-Bowman C3H2 + O2 = HCCO + CO + H 5.000E+13 0.000 0.0 !232 Miller-Melius HCCO+O = H+CO+CO 1.000E+14 0.000 0.0 !233 HCCO+O2 = OH+2CO 3.200E+12 0.000 854.0 !234 HCCO+CH2 = C2H3+CO 3.000E+13 0.000 0.0 !235 HCCO+HCCO = C2H2+CO+CO 1.000E+13 0.000 0.0 !236 C2H+OH = H+HCCO 2.000E+13 0.000 0.0 !237 CH2+CO(+M) = CH2CO(+M) 8.100E+11 0.500 4510.0 !238 LOW / 2.690E+33 -5.110 7095.00/ TROE/ 0.5907 275.00 1226.00 5185.00 / H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ N2/0.7/ C2H2+OH = CH2CO+H 2.180E-04 4.500 -1000.0 !239 CH2CO+H = HCCO+H2 5.000E+13 0.000 8000.0 !240 CH2CO+H = CH3+CO 1.130E+13 0.000 3428.0 !241 CH2CO+O = HCCO+OH 5.000E+13 0.000 8000.0 !242 CH2CO+O = CH2+CO2 1.750E+12 0.000 1350.0 !243 CH2CO+OH = HCCO+H2O 7.500E+12 0.000 2000.0 !244 C2H3+O = CH2CO+H 3.000E+13 0.000 0.0 !245 C3H3 + O2 = CH2CO + HCO 3.000E+10 0.0 2878.0 !246 Gutman C4H3 + O2 = HCCO + CH2CO 7.860E+16 -1.80 0.0 !247 Gutman !C4H3 + C2H2 = A1- 1.900E+63 -15.25 30600.0 ! !A1 + H = A1- + H2 2.500E+14 0.0 16000. ! Kiefer !A1 + OH = A1- + H2O 1.600E+08 1.42 1450. ! CEC !A1- + H (+M) = A1 (+M) 1.000E+14 0.00 0. ! RRKM ! LOW/ 6.6E+75 -16.30 7000. / ! TROE / 1.0 0.1 584.9 6113. / ! H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ ! soot formation !C3H3 + C3H3 = A1 2.000E+10 0.0 0.0 ! !A1 = 6C(S)+3H2 2.000E+10 0.0 0.0 ! !C4H2 = 4C(S)+H2 2.000E+10 0.0 0.0 ! !C(S)+C2H2=>3C(S)+H2 2.000E+10 0.0 0.0 ! !C2H2 = 2C(S)+H2 2.000E+10 0.0 0.0 ! ! O+CH2OH<=>OH+CH2O 1.000E+13 .000 .00!248 H+CH2O(+M)<=>CH2OH(+M) 5.400E+11 .454 3600.00!249 LOW / 1.270E+32 -4.820 6530.00/ TROE/ .7187 103.00 1291.00 4160.00 / H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ N2/0.7/ H+CH2OH<=>H2+CH2O 2.000E+13 .000 .00!250 H+CH2OH<=>OH+CH3 1.650E+11 .650 -284.00!251 H+CH3O<=>H+CH2OH 4.150E+07 1.630 1924.00!252 C2H3+O2<=>O+CH2CHO 3.030E+11 .290 11.00!253 C2H3+O2<=>HO2+C2H2 1.337E+06 1.610 -384.00!254 O+CH3CHO<=>OH+CH2CHO 2.920E+12 .000 1808.00!255 O+CH3CHO=>OH+CH3+CO 2.920E+12 .000 1808.00!256 O2+CH3CHO=>HO2+CH3+CO 3.010E+13 .000 39150.00!257 H+CH3CHO<=>CH2CHO+H2 2.050E+09 1.160 2405.00!258 H+CH3CHO=>CH3+H2+CO 2.050E+09 1.160 2405.00!259 OH+CH3CHO=>CH3+H2O+CO 2.343E+10 0.730 -1113.00!260 HO2+CH3CHO=>CH3+H2O2+CO 3.010E+12 .000 11923.00!261 CH3+CH3CHO=>CH3+CH4+CO 2.720E+06 1.770 5920.00!262 H+CH2CO(+M)<=>CH2CHO(+M) 4.865E+11 0.422 -1755.00!263 LOW/ 1.012E+42 -7.63 3854.0/ TROE/ 0.465 201.0 1773.0 5333.0 / H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ N2/ .70/ O+CH2CHO=>H+CH2+CO2 1.500E+14 .000 .00!264 O2+CH2CHO=>OH+CO+CH2O 1.810E+10 .000 .00!265 O2+CH2CHO=>OH+2HCO 2.350E+10 .000 .00!266 H+CH2CHO<=>CH3+HCO 2.200E+13 .000 .00!267 H+CH2CHO<=>CH2CO+H2 1.100E+13 .000 .00!268 OH+CH2CHO<=>H2O+CH2CO 1.200E+13 .000 .00!269 OH+CH2CHO<=>HCO+CH2OH 3.010E+13 .000 .00!270 ! C3H8(+M)=C2H5+CH3(+M) 9.90E+22 -1.6 84429.0 !271 Tsang 1988 LOW / 2.237E+27 -2.88 67448.0 / ! Al-Alami 1983 TROE /1.0 1.0E-15 1500.0 1.0E+15/ H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ N2/ .70/ C3H8/4.0/ O+C3H8<=>OH+C3H7 1.930E+05 2.680 3716.00!272 H+C3H8<=>C3H7+H2 1.020E+06 2.340 6756.00!273 OH+C3H8<=>C3H7+H2O 3.160E+07 1.800 934.00!274 C3H7+H2O2<=>HO2+C3H8 3.780E+02 2.720 1500.00!275 CH3+C3H8<=>C3H7+CH4 0.903E+00 3.650 7154.00!276 C3H8+C2H5=C3H7+C2H6 9.000E-01 3.650 9140.00!277 C3H8+C2H3=C3H7+C2H4 6.000E+02 3.300 10502.00!278 CH3+C2H4(+M)<=>C3H7(+M) 2.550E+06 1.600 5700.00!279 LOW/ 3.00E+63 -14.6 18170./ TROE/ .1894 277.0 8748.0 7891.0 / H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ N2/0.70/ C3H8/4.0/ O+C3H7<=>C2H5+CH2O 9.640E+13 .000 .00!280 H+C3H7(+M)<=>C3H8(+M) 3.613E+13 .000 .00!281 LOW/ 4.420E+61 -13.545 11357.0/ TROE/ .315 369.0 3285.0 6667.0 / H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ N2/0.70/ H+C3H7<=>CH3+C2H5 4.060E+06 2.190 890.00!282 CH2+C3H8=CH3+C3H7 1.500E+0 3.460 7470.00!283 OH+C3H7<=>C2H5+CH2OH 2.410E+13 .000 .00!284 HO2+C3H7<=>O2+C3H8 2.550E+10 0.255 -943.00!285 HO2+C3H7=>OH+C2H5+CH2O 2.410E+13 .000 .00!286 CH3+C3H7<=>2C2H5 1.927E+13 -0.320 .00!287 C3H7+CH3 <=> CH4+C3H6 1.100E+13 0.000 0.0 !288 TS3 C3H6+C2H5=C3H5+C2H6 2.230E+00 3.500 6640.0 !289 C3H6+O = CH3+CH3CO 6.800E+04 2.560 -1.13E+3!290 END