Merge branch 'master' of github.com:OpenFOAM/OpenFOAM-2.0.x
[OpenFOAM-2.0.x.git] / tutorials / combustion / dieselFoam / aachenBomb / chemkin / chem.inp.full
blobc757dde3123cce64e2e3f71d89c2c8ea9c91a0c4
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
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
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
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
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
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
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
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
263 ! Reactions of C4H and C4H2
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
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 !
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
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