| blob | c757dde3123cce64e2e3f71d89c2c8ea9c91a0c4 |
1 ELEMENTS
2 H O C N
3 END
4 SPECIE
5 C7H16 O2 N2 CO CO2
6 H H2 O H2O OH
7 HO2 H2O2 CH4 CH3 CH3O
8 CH2 CH2O CH3O2 CH4O2 HCO HCCO CH2CO
9 C7H15-1 C7H15-2 C7H15O2 C7H14O2H C7H14O2HO2
10 C7KET21 C6H12 C5H11CHO C5H11CO C5H11
11 C4H9 C4H C4H2 C4H3
12 C3H7 C3H6 C3H5 C3H4 C3H3 C3H2
13 C2H C2H2 C2H3 C2H4 C2H5 C2H6
14 N2O NO N
15 C3H8 CH2CHO CH3CHO CH3CO CH2OH
16 END
17 REACTIONS
18 C7H16 + O2 = C7H15-1 + HO2 2.500E+13 0.0 48810.0! 1
19 C7H16 + O2 = C7H15-2 + HO2 2.800E+14 0.0 47180.0! 2
20 C7H16 + H = C7H15-1 + H2 5.600E+07 2.0 7667.0! 3
21 C7H16 + H = C7H15-2 + H2 4.380E+07 2.0 4750.0! 4
22 C7H16 + OH = C7H15-1 + H2O 8.600E+09 1.10 1815.0! 5
23 C7H16 + OH = C7H15-2 + H2O 4.800E+09 1.30 690.5! 6
24 C7H16 + HO2 = C7H15-1 + H2O2 8.000E+12 0.0 19300.0! 7
25 C7H16 + HO2 = C7H15-2 + H2O2 1.000E+13 0.0 16950.0! 8
26 C7H16 + CH3 = C7H15-1 + CH4 1.300E+12 0.0 1.160E+4! 9
27 C7H16 + CH3 = C7H15-2 + CH4 8.000E+11 0.0 9.500E+3! 10
28 C7H16 = C7H15-1 + H 3.972E+19 -0.95 1.032E+5! 11
29 C7H16 = C7H15-2 + H 1.248E+21 -1.34 1.007E+5! 12
30 C7H16 = C4H9 + C3H7 2.000E+16 0.0 80710.0! 13
31 !
32 C7H15-1 + O2 = C7H15O2 2.000E+12 0.0 0.0! 14
33 C7H15-2 + O2 = C7H15O2 2.000E+12 0.0 0.0! 15
34 C7H15O2 = C7H14O2H 6.000E+11 0.0 20380.0! 16
35 C7H14O2H + O2 = C7H14O2HO2 2.340E+11 0.0 0.0! 17
36 C7H14O2HO2 = C7KET21 + OH 2.965E+13 0.0 2.670E+4! 18
37 C7KET21 = C5H11CO + CH2O + OH 1.000E+16 0.0 4.240E+4! 19
38 C5H11CHO + O2 = C5H11CO + HO2 2.000E+13 0.5 4.220E+4! 20
39 C5H11CHO + OH = C5H11CO + H2O 1.000E+13 0.0 0.000E+0! 21
40 C5H11CHO + H = C5H11CO + H2 4.000E+13 0.0 4.200E+3! 22
41 C5H11CHO + O = C5H11CO + OH 5.000E+12 0.0 1.790E+3! 23
42 C5H11CHO + HO2 = C5H11CO + H2O2 2.800E+12 0.0 1.360E+4! 24
43 C5H11CHO + CH3 = C5H11CO + CH4 1.700E+12 0.0 8.440E+3! 25
44 C5H11CHO + CH3O2 = C5H11CO + CH4O2 1.000E+12 0.0 9.500E+3! 26
45 C5H11CO = C5H11 + CO 1.000E+11 0.0 9.600E+3! 27
46 C5H11 = C2H5 + C3H6 3.200E+13 0.0 28300.0! 28
47 C7H15-1 = C2H4 + C5H11 2.500E+13 0.0 28810.0! 29
48 C7H15-2 = CH3 + C6H12 3.000E+13 0.0 29800.0! 30
49 C6H12 = C3H7 + C3H5 1.000E+16 0.0 68000.0! 31
50 C7H15-2 = C4H9 + C3H6 1.200E+13 0.0 29600.0! 32
51 C7H15-1 = C7H15-2 2.000E+11 0.0 18100.0! 33
52 C4H9 = C3H6 + CH3 2.232E+17 -1.40 30830.0! 34
53 C4H9 = C2H5 + C2H4 2.500E+13 0.0 28810.0! 35
54 C3H7 = C2H4 + CH3 9.600E+13 0.0 30950.0! 36
55 C3H7 = C3H6 + H 1.250E+14 0.0 36900.0! 37
56 C3H7 + O2 = C3H6 + HO2 1.000E+12 0.0 4980.0! 38
57 C3H6 = C2H3 + CH3 6.150E+15 0.0 85500.0! 39 ! 3.15
58 C3H6 + H = C3H5 + H2 5.000E+12 0.0 1500.0! 40
59 C3H6 + CH3 = C3H5 + CH4 9.000E+12 0.0 8480.0! 41
60 C3H6 + O2 = C3H5 + HO2 4.000E+12 0.0 39900.0! 42
61 C3H6 + OH = CH3CHO + CH3 3.500E+11 0.0 0.0! 43
62 C3H5 = C3H4 + H 4.000E+13 0.0 69760.0! 44
63 C3H5 + H = C3H4 + H2 1.000E+13 0.0 0.0! 45
64 C3H5 + O2 = C3H4 + HO2 6.000E+11 0.0 10000.0! 46
65 C3H4 + OH = C2H3 + CH2O 1.000E+12 0.0 0.0! 47
66 C3H4 + OH = C2H4 + HCO 1.000E+12 0.0 0.0! 48
67 C3H4 + O2 = C3H3 + HO2 4.000E+13 0.0 39160.0! 49
68 !
69 C2H5 + O = CH3CHO + H 5.300E+13 0.0 0.0! 50
70 C2H4 + HO2 = CH3CHO + OH 2.200E+13 0.0 17200.0! 51
71 C2H4 + CH3O = CH3CHO + CH3 3.000E+13 0.0 14500.0! 52
72 C2H4 + CH3O2 = CH3CHO + CH3O 7.000E+13 0.0 14500.0! 53
73 !C2H3 + OH = CH3CHO 3.000E+13 0.0 0.0!
74 CH3CHO = CH3 + HCO 7.080E+15 0.00 81760. ! 54
75 !CH3CHO = CH3CO + H 5.000E+14 0.00 87860. !
76 CH3CO + M = CH3 + CO + M 1.800E+16 0.00 1.44E+4! 55
77 CH3CHO + O2 = CH3CO + HO2 2.000E+13 0.50 42200. ! 56
78 CH3CHO + H = CH3CO + H2 4.100E+13 0.00 4200. ! 57
79 CH3CHO + OH = CH3CO + H2O 1.000E+13 0.00 0. ! 58
80 CH3CHO + O = CH3CO + OH 5.800E+12 0.00 1790. ! 59
81 CH3CHO + CH3 = CH3CO + CH4 1.700E+12 0.0 8440.0! 60
82 CH3CHO + CH2 = CH3CO + CH3 1.660E+12 0.0 3510. ! 61
83 CH3CHO + HO2 = CH3CO + H2O2 1.700E+12 0.00 10700. ! 62
84 CH3CHO + CH3O2 = CH3CO + CH4O2 1.150E+11 0.0 10000.0! 63
85 CH3CO + O = CH3 + CO2 1.000E+13 0.00 0. ! 64
86 CH3CO + H = CH3 + HCO 1.000E+14 0.0 0. ! 65
87 CH3CO + OH = CH3 + CO + OH 3.000E+13 0.0 0. ! 66
88 CH3CO + HO2 = CH3 + CO2 + OH 3.000E+13 0.0 0. ! 67
89 CH3CO + CH3 = C2H6 + CO 5.000E+13 0.00 0. ! 68
90 !
91 CH3O + CO = CH3 + CO2 1.570E+14 0.00 11800. ! 69
92 CH3O + H = CH2O + H2 2.000E+13 0.00 0. ! 70
93 CH3O + OH = CH2O + H2O 1.000E+13 0.00 0. ! 71
94 CH3O + O = CH2O + OH 1.000E+13 0.00 0. ! 72
95 CH3O + O2 = CH2O + HO2 1.200E+11 0.00 2600. ! 73
96 CH3O (+M) = CH2O + H (+M) 2.000E+13 0.00 27420.0! 74
97 LOW /2.344E+25 -2.7 3.060E+04/
98 CH3 + HO2 = CH3O + OH 4.300E+13 0.00 0. ! 75
99 CH3 + O2 = CH3O + O 3.670E+13 0.00 30000. ! 76
100 CH3 + O2 = CH2O + OH 4.800E+10 0.00 9000. ! 77 4.8 9000
101 CH3 + O2 = CH3O2 3.020E+59 -15.0 17204. ! 78 3.02
102 !
103 CH3O2 + HO2 = CH4O2 + O2 4.630E+11 0.0 -2583. ! 79
104 CH3O2 + CH4 = CH4O2 + CH3 1.810E+11 0.0 18480. ! 80
105 CH3O2 + CH3 = CH3O + CH3O 2.410E+13 0.0 0. ! 81 2.410E+13
106 CH3O2 + O = CH3O + O2 3.610E+13 0.0 0. ! 82
107 CH3O2 + H = CH3O + OH 9.640E+13 0.0 0. ! 83
108 CH3O2 + CH2O = CH4O2 + HCO 1.000E+12 0.0 11665. ! 84
109 CH3O2 + C2H6 = CH4O2 + C2H5 2.950E+11 0.0 14944. ! 85
110 CH3O2 + CH3O2 = CH3O + CH3O + O2 2.800E+11 0.0 -780. ! 86 11
111 CH3O2 + H2O2 = CH4O2 + HO2 2.400E+12 0.0 10000. ! 87
112 CH4O2 = CH3O + OH 3.000E+16 0.0 42920. ! 88 6.000E+16
113 CH3O2 + C2H4 = C2H3 + CH4O2 7.100E+11 0.0 17110. ! 89
114 CH4O2 + OH = CH3O2 + H2O 1.000E+13 0.0 -258. ! 90 ! 8.2
115 CH4O2 + O = CH3O2 + OH 2.000E+13 0.0 4750. ! 91
116 CH3 + O = CH2O + H 8.000E+13 0.00 0. ! 92
117 CH3 + OH = CH2 + H2O 7.500E+06 2.00 5000. ! 93
118 CH3 + OH = CH2O + H2 4.000E+12 0.00 0. ! 94
119 CH3O + H = CH3 + OH 1.000E+14 0.00 0. ! 95
120 CO + O + M = CO2 + M 6.170E+14 0.00 3000. ! 96
121 CO + OH = CO2 + H 3.510E+07 1.30 -758. ! 97
122 CO + O2 = CO2 + O 1.600E+13 0.00 41000. ! 98
123 HO2 + CO = CO2 + OH 5.800E+13 0.00 22930. ! 99
124 !
125 H2 + O2 = OH + OH 1.700E+13 0.00 47780. !100
126 H2 + OH = H2O + H 1.170E+09 1.30 3626. !101
127 O + OH = O2 + H 4.000E+14 -0.50 0. !102
128 O + H2 = OH + H 5.060E+04 2.67 6290. !103
129 H + HO2 = O + H2O 3.100E+10 0.00 3590. !104
130 O + OH + M = HO2 + M 1.000E+16 0.00 0. !105
131 H2O/6.0/ CO2/5.0/ H2/3.3/ CO/2.0/ N2/0.70/
132 H + O2 + M = HO2 + M 2.800E+18 -.86 0.0!106
133 O2/ .00/ H2O/ .00/ CO/ .75/ CO2/1.50/ C2H6/1.50/ N2/0.0/
134 H + O2 + O2 = HO2 + O2 2.080E+19 -1.24 0.0!107
135 H + O2 + H2O = HO2 + H2O 11.26E+18 -.76 0.0!108
136 H + O2 + N2 = HO2 + N2 2.600E+19 -1.24 0.0!109
137 OH + HO2 = H2O + O2 7.500E+12 0.00 0. !110
138 H + HO2 = OH + OH 1.700E+14 0.0 875. !111
139 O + HO2 = O2 + OH 1.400E+13 0.00 1073. !112
140 OH + OH = O + H2O 6.000E+08 1.30 0. !113
141 H + H + M = H2 + M 1.000E+18 -1.00 0. !114
142 H2/0./ H2O/0./ CO2/0./
143 H + H + H2 = H2 + H2 9.200E+16 -0.60 0. !115
144 H + H + H2O = H2 + H2O 6.000E+19 -1.25 0. !116
145 H + H + CO2 = H2 + CO2 5.490E+20 -2.00 0. !117
146 H + OH + M = H2O + M 1.600E+22 -2.00 0. !118
147 H + O + M = OH + M 6.200E+16 -0.60 0. !119
148 O + O + M = O2 + M 1.890E+13 0.00 -1788. !120
149 H + HO2 = H2 + O2 1.250E+13 0.00 0. !121
150 HO2 + HO2 = H2O2 + O2 2.000E+12 0.00 0. !122
151 OH + OH (+M) = H2O2 (+M) 7.600E+13 -.37 0. !123
152 LOW / 4.300E+18 -.900 -1700.00/
153 TROE/ .7346 94.00 1756.00 5182.00 /
154 H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ N2/0.70/
155 H2O2 + H = HO2 + H2 1.600E+12 0.00 3800. !124
156 H2O2 + OH = H2O + HO2 1.000E+13 0.00 1800. !125
157 H2O2 + H = H2O + OH 1.000E+13 0.00 3590. !126
158 H2O2 + O = H2O + O2 8.400E+11 0.00 4260. !127
159 H2O2 + O = OH + HO2 2.000E+13 0.00 5900. !128
160 H2 + HO2 = H2O + OH 6.500E+11 0.00 18800. !129
161 !
162 CO2 + N = NO + CO 1.900E+11 0.00 3400. !130
163 N2O + O = N2 + O2 1.400E+12 0.00 10810. !131
164 N2O + O = NO + NO 2.900E+13 0.00 23150. !132
165 N2O + H = N2 + OH 4.400E+14 0.00 18880. !133
166 N2O + OH = N2 + HO2 2.000E+12 0.00 21060. !134
167 N2O + M = N2 + O + M 1.300E+11 0.00 59620. !135
168 N + NO = N2 + O 3.270E+12 0.30 0. !136
169 N + O2 = NO + O 6.400E+09 1.00 6280. !137
170 N + OH = NO + H 7.333E+13 0.00 1120. !138
171 !
172 CH2O + O2 = HCO + HO2 6.200E+13 0.00 39000. !139
173 CH2O + O = HCO + OH 4.100E+11 0.57 2760. !140 4.1
174 CH2O + H = HCO + H2 2.190E+08 1.80 3000. !141
175 CH2O + OH = HCO + H2O 2.430E+10 1.18 -447. !142
176 CH2O + HO2 = HCO + H2O2 3.000E+12 0.00 8000. !143
177 CH2O + M = CO + H2 + M 6.250E+15 0.00 69540. !144
178 CH2O + M = HCO + H + M 3.300E+16 0.00 81000. !145
179 !H2 + CO = CH2O 4.300E+07 1.50 79600. !
180 HCO + HCO = CH2O + CO 3.010E+13 0.00 0. !146
181 HCO + OH = H2O + CO 1.000E+14 0.00 0. !147
182 HCO + H = H2 + CO 1.190E+13 0.30 0. !148
183 HCO + O = OH + CO 3.000E+13 0.00 0. !149
184 HCO + O = H + CO2 3.000E+13 0.00 0. !150
185 HCO + O2 = HO2 + CO 3.300E+13 -0.40 0. !151
186 HCO + M = H + CO + M 1.870E+17 -1.00 17000. !152
187 !HCO + H + M = CH2O + M 1.000E+12 0.48 -260. !
188 HCO + HO2 = CO2 + OH + H 3.000E+13 0.00 0. !153
189 CH4 + O2 = CH3 + HO2 7.900E+13 0.00 56000. !154
190 !CH3 + HO2 = CH4 + O2 1.000E+12 0.00 0. !
191 CH4 + H = CH3 + H2 6.600E+08 1.60 10840. !155
192 CH4 + OH = CH3 + H2O 1.600E+06 2.10 2460. !156
193 CH4 + O = CH3 + OH 1.020E+09 1.50 8604. !157
194 CH4 + HO2 = CH3 + H2O2 1.000E+13 0.00 18700. !158
195 CH4 + CH2 = CH3 + CH3 4.000E+12 0.00 -570. !159
196 CH3 + CH2O = CH4 + HCO 5.500E+03 2.80 6000. !160
197 CH3 + HCO = CH4 + CO 1.200E+14 0.00 0. !161
198 CH3 + H = CH4 1.900E+36 -7.00 9050. !162
199 CH3 + H = CH2 + H2 9.000E+13 0.00 15100. !163
200 CH3 + CH3O = CH4 + CH2O 3.300E+14 0.00 0. !164 3.3
201 !CH3 + CH3 = C2H6 2.700D+53 -12.0 19400. !
202 CH3 + CH3 (+M) = C2H6 (+M) 2.120E+16 -0.97 620. !165
203 LOW / 1.770E+50 -9.670 6220.00/
204 TROE/ 0.5325 151.00 1038.00 4970.00 /
205 H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ N2/0.7/
206 CH3 + CH3 = C2H5 + H 4.990E+12 .100 10600. !166
207 !CH2 + H2 = CH3 + H 5.000E+05 2.00 7230. !
208 CH2 + OH = CH2O + H 2.500E+13 0.00 0. !167
209 CH2 + O2 = HCO + OH 4.300E+10 0.00 -500. !168
210 CH2 + O2 = CO2 + H2 6.900E+11 0.00 500. !169
211 CH2 + O2 = CO + H2O 2.000E+10 0.00 -1000. !170
212 CH2 + O2 = CH2O + O 5.000E+13 0.00 9000. !171
213 CH2 + O2 = CO2 + H + H 1.600E+12 0.00 1000. !172
214 CH2 + O2 = CO + OH + H 8.600E+10 0.00 -500. !173
215 CH2 + CH2 = C2H2 + H2 1.200E+13 0.0 800. !174
216 CH2 + CH2 = C2H2 + H + H 1.200E+14 0.0 800. !175
217 CH2 + CO2 = CH2O + CO 1.000E+11 0.00 1000. !176
218 CH3 + HCO = CH2O + CH2 3.000E+13 0.00 0. !177
219 CH3 + C2H4 = CH4 + C2H3 6.620E+00 3.70 9482. !178
220 CH3 + CH3 = C2H4 + H2 1.000E+15 0.00 31000. !179
221 CH3 + CH2 = C2H4 + H 3.000E+13 0.00 -570. !180
222 C2H4 + H = C2H3 + H2 1.100E+14 0.00 8500. !181
223 C2H4 + O = CH3 + HCO 1.600E+09 1.20 746. !182
224 C2H4 + O = CH2O + CH2 3.000E+04 1.88 180. !183
225 C2H4 + O = C2H3 + OH 1.510E+07 1.91 3790. !184
226 C2H4 + OH = CH2O + CH3 6.000E+13 0.0 960. !185 ! 13
227 C2H4 + HO2 = C2H3 + H2O2 7.100E+11 0.0 17110. !186
228 C2H4 + OH = C2H3 + H2O 6.020E+13 0.00 5955. !187 ! 6.02 5955
229 C2H4 + M = C2H2 + H2 + M 1.500E+15 0.00 55800. !188
230 C2H4 + M = C2H3 + H + M 2.600E+17 0.0 96570. !189
231 C2H4 + H = C2H5 2.600E+43 -9.25 52580. !190
232 C2H6 + O2 = C2H5 + HO2 1.000E+13 0.00 48960. !191
233 C2H5 + O2 = C2H4 + HO2 2.000E+10 0.0 -2200. !192
234 C2H4 + O2 = C2H3 + HO2 4.200E+14 0.00 57590. !193 ! 14
235 C2H4 + C2H4 = C2H5 + C2H3 5.000E+14 0.0 64700. !194 ! 14
236 C2H5 + HO2 = C2H4 + H2O2 3.000E+11 0.00 0. !195
237 C2H2 + O2 = HCO + HCO 4.000E+12 0.00 28000. !196 2.0
238 C2H2 + O = CH2 + CO 1.020E+07 2.00 1900. !197
239 C2H2 + H + M = C2H3 + M 5.540E+12 0.00 2410. !198
240 C2H3 + H = C2H2 + H2 4.000E+13 0.00 0. !199
241 C2H3 + O2 = CH2O + HCO 4.000E+12 0.00 -250. !200
242 C2H3 + OH = C2H2 + H2O 3.000E+13 0.00 0. !201
243 C2H3 + CH2 = C2H2 + CH3 3.000E+13 0.00 0. !202
244 C2H3 + HCO = C2H4 + CO 6.034E+13 0.0 0. !203
245 C2H3 + C2H3 = C2H2 + C2H4 1.450E+13 0.0 0. !204
246 C2H3 + O = C2H2 + OH 1.000E+13 0.0 0. !205
247 C2H2 + OH = CH3 + CO 4.830E-04 4.00 -2000. !206
248 C2H2 + CH2 = C3H3 + H 1.200E+13 0.0 6620. !207
249 C3H3 + OH = C3H2 + H2O 1.000E+13 0.0 0. !208
250 C3H3 + O = CH2O + C2H 1.000E+13 0.0 0. !209
251 C2H3 = C2H2 + H 4.600E+40 -8.80 46200. !210
252 !
253 C2H2 = C2H + H 2.373E+32 -5.28 130688. !211
254 C2H + O2 = HCO + CO 5.000E+13 0.00 1500. !212
255 C2H + H2 = H + C2H2 4.900E+05 2.50 560.0 !213
256 C2H2 + O = C2H + OH 4.600E+19 -1.41 28950.0 !214
257 C2H2 + OH = C2H + H2O 3.370E+07 2.00 14000.0 !215
258 C2H2 + C2H = C4H2 + H 9.600E+13 0.00 0.0 !216
259 C3H4 + O = C2H3 + HCO 3.200E+12 0.00 2.01E+3!217
260 C3H4 + O = C2H4 + CO 3.200E+12 0.00 2.01E+3!218
261 C3H4 + O = HCCO + CH3 6.300E+12 0.00 2.01E+3!219
262 !
263 ! Reactions of C4H and C4H2
264 !
265 C4H + H2 = H + C4H2 4.900E+05 2.5 560.0 !220
266 C4H2 + OH = C4H + H2O 3.370E+07 2.0 14000.0 !221
267 C4H2 + O = C3H2 + CO 2.700E+13 0.0 1720.0 !222 Wellman
268 C3H2 + O = C2H2 + CO 6.800E+13 0.0 0.0 !223
269 C3H2 + OH = HCO + C2H2 6.800E+13 0.0 0.0 !224
270 C2H2 + C2H = C4H3 4.500E+37 -7.68 7100.0 !225
271 C3H2 + CH2 = C4H3 + H 5.000E+13 0.0 0.0 !226
272 C4H2 + H = C4H3 1.100E+42 -8.72 15300.0 !227
273 C4H3 + H = C2H2 + C2H2 6.300E+25 -3.34 10014.0 !228
274 C4H3 + H = C4H2 + H2 1.500E+13 0.00 0.0 !229
275 C4H3 + OH = C4H2 + H2O 2.500E+12 0.00 0.0 !230
276 !
277 C2H2 + HCCO = C3H3 + CO 1.000E+11 0.000 3000.0 !231 Miller-Bowman
278 C3H2 + O2 = HCCO + CO + H 5.000E+13 0.000 0.0 !232 Miller-Melius
279 HCCO+O = H+CO+CO 1.000E+14 0.000 0.0 !233
280 HCCO+O2 = OH+2CO 3.200E+12 0.000 854.0 !234
281 HCCO+CH2 = C2H3+CO 3.000E+13 0.000 0.0 !235
282 HCCO+HCCO = C2H2+CO+CO 1.000E+13 0.000 0.0 !236
283 C2H+OH = H+HCCO 2.000E+13 0.000 0.0 !237
284 CH2+CO(+M) = CH2CO(+M) 8.100E+11 0.500 4510.0 !238
285 LOW / 2.690E+33 -5.110 7095.00/
286 TROE/ 0.5907 275.00 1226.00 5185.00 /
287 H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ N2/0.7/
288 C2H2+OH = CH2CO+H 2.180E-04 4.500 -1000.0 !239
289 CH2CO+H = HCCO+H2 5.000E+13 0.000 8000.0 !240
290 CH2CO+H = CH3+CO 1.130E+13 0.000 3428.0 !241
291 CH2CO+O = HCCO+OH 5.000E+13 0.000 8000.0 !242
292 CH2CO+O = CH2+CO2 1.750E+12 0.000 1350.0 !243
293 CH2CO+OH = HCCO+H2O 7.500E+12 0.000 2000.0 !244
294 C2H3+O = CH2CO+H 3.000E+13 0.000 0.0 !245
295 C3H3 + O2 = CH2CO + HCO 3.000E+10 0.0 2878.0 !246 Gutman
296 C4H3 + O2 = HCCO + CH2CO 7.860E+16 -1.80 0.0 !247 Gutman
297 !C4H3 + C2H2 = A1- 1.900E+63 -15.25 30600.0 !
298 !A1 + H = A1- + H2 2.500E+14 0.0 16000. ! Kiefer
299 !A1 + OH = A1- + H2O 1.600E+08 1.42 1450. ! CEC
300 !A1- + H (+M) = A1 (+M) 1.000E+14 0.00 0. ! RRKM
301 ! LOW/ 6.6E+75 -16.30 7000. /
302 ! TROE / 1.0 0.1 584.9 6113. /
303 ! H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/
304 ! soot formation
305 !C3H3 + C3H3 = A1 2.000E+10 0.0 0.0 !
306 !A1 = 6C(S)+3H2 2.000E+10 0.0 0.0 !
307 !C4H2 = 4C(S)+H2 2.000E+10 0.0 0.0 !
308 !C(S)+C2H2=>3C(S)+H2 2.000E+10 0.0 0.0 !
309 !C2H2 = 2C(S)+H2 2.000E+10 0.0 0.0 !
310 !
311 O+CH2OH<=>OH+CH2O 1.000E+13 .000 .00!248
312 H+CH2O(+M)<=>CH2OH(+M) 5.400E+11 .454 3600.00!249
313 LOW / 1.270E+32 -4.820 6530.00/
314 TROE/ .7187 103.00 1291.00 4160.00 /
315 H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ N2/0.7/
316 H+CH2OH<=>H2+CH2O 2.000E+13 .000 .00!250
317 H+CH2OH<=>OH+CH3 1.650E+11 .650 -284.00!251
318 H+CH3O<=>H+CH2OH 4.150E+07 1.630 1924.00!252
319 C2H3+O2<=>O+CH2CHO 3.030E+11 .290 11.00!253
320 C2H3+O2<=>HO2+C2H2 1.337E+06 1.610 -384.00!254
321 O+CH3CHO<=>OH+CH2CHO 2.920E+12 .000 1808.00!255
322 O+CH3CHO=>OH+CH3+CO 2.920E+12 .000 1808.00!256
323 O2+CH3CHO=>HO2+CH3+CO 3.010E+13 .000 39150.00!257
324 H+CH3CHO<=>CH2CHO+H2 2.050E+09 1.160 2405.00!258
325 H+CH3CHO=>CH3+H2+CO 2.050E+09 1.160 2405.00!259
326 OH+CH3CHO=>CH3+H2O+CO 2.343E+10 0.730 -1113.00!260
327 HO2+CH3CHO=>CH3+H2O2+CO 3.010E+12 .000 11923.00!261
328 CH3+CH3CHO=>CH3+CH4+CO 2.720E+06 1.770 5920.00!262
329 H+CH2CO(+M)<=>CH2CHO(+M) 4.865E+11 0.422 -1755.00!263
330 LOW/ 1.012E+42 -7.63 3854.0/
331 TROE/ 0.465 201.0 1773.0 5333.0 /
332 H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ N2/ .70/
333 O+CH2CHO=>H+CH2+CO2 1.500E+14 .000 .00!264
334 O2+CH2CHO=>OH+CO+CH2O 1.810E+10 .000 .00!265
335 O2+CH2CHO=>OH+2HCO 2.350E+10 .000 .00!266
336 H+CH2CHO<=>CH3+HCO 2.200E+13 .000 .00!267
337 H+CH2CHO<=>CH2CO+H2 1.100E+13 .000 .00!268
338 OH+CH2CHO<=>H2O+CH2CO 1.200E+13 .000 .00!269
339 OH+CH2CHO<=>HCO+CH2OH 3.010E+13 .000 .00!270
340 !
341 C3H8(+M)=C2H5+CH3(+M) 9.90E+22 -1.6 84429.0 !271 Tsang 1988
342 LOW / 2.237E+27 -2.88 67448.0 / ! Al-Alami 1983
343 TROE /1.0 1.0E-15 1500.0 1.0E+15/
344 H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ N2/ .70/ C3H8/4.0/
345 O+C3H8<=>OH+C3H7 1.930E+05 2.680 3716.00!272
346 H+C3H8<=>C3H7+H2 1.020E+06 2.340 6756.00!273
347 OH+C3H8<=>C3H7+H2O 3.160E+07 1.800 934.00!274
348 C3H7+H2O2<=>HO2+C3H8 3.780E+02 2.720 1500.00!275
349 CH3+C3H8<=>C3H7+CH4 0.903E+00 3.650 7154.00!276
350 C3H8+C2H5=C3H7+C2H6 9.000E-01 3.650 9140.00!277
351 C3H8+C2H3=C3H7+C2H4 6.000E+02 3.300 10502.00!278
352 CH3+C2H4(+M)<=>C3H7(+M) 2.550E+06 1.600 5700.00!279
353 LOW/ 3.00E+63 -14.6 18170./
354 TROE/ .1894 277.0 8748.0 7891.0 /
355 H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ N2/0.70/ C3H8/4.0/
356 O+C3H7<=>C2H5+CH2O 9.640E+13 .000 .00!280
357 H+C3H7(+M)<=>C3H8(+M) 3.613E+13 .000 .00!281
358 LOW/ 4.420E+61 -13.545 11357.0/
359 TROE/ .315 369.0 3285.0 6667.0 /
360 H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ N2/0.70/
361 H+C3H7<=>CH3+C2H5 4.060E+06 2.190 890.00!282
362 CH2+C3H8=CH3+C3H7 1.500E+0 3.460 7470.00!283
363 OH+C3H7<=>C2H5+CH2OH 2.410E+13 .000 .00!284
364 HO2+C3H7<=>O2+C3H8 2.550E+10 0.255 -943.00!285
365 HO2+C3H7=>OH+C2H5+CH2O 2.410E+13 .000 .00!286
366 CH3+C3H7<=>2C2H5 1.927E+13 -0.320 .00!287
367 C3H7+CH3 <=> CH4+C3H6 1.100E+13 0.000 0.0 !288 TS3
368 C3H6+C2H5=C3H5+C2H6 2.230E+00 3.500 6640.0 !289
369 C3H6+O = CH3+CH3CO 6.800E+04 2.560 -1.13E+3!290
370 END