Summary of Active Parameters and Their Optimized Values
The table below lists the 258 rate parameters that remain active after freezing the unconstrainted ones. In the table, the rate parameters are ranked in the order from C0 to C4,
- No.: the first column indicates the index of each active parameter, ranging from 1 to 258.
- Reaction No.: the second column lists the index of reaction in FFCM-2, ranging from 1 to 1054.
- Reaction: the reaction pathway of each rate parameter.
- Type: the type of rate parameter, either an A-factor (A) or a three-body Chaperon efficiency (M).
- $x_{i}^*$: the value of the optimized normalized rate parameter.
- Multiplier: the optimized value for the multiplier of the A factor \(A_i^*/A_{i,0}\) or three-body efficiency \(M_i^*/M_{i,0}\).
- $f_{i, trial}$: the uncertainty factor assigned to each reaction rate coefficient in the trial model.
- $f^{*}_{i, opt}$: the uncertainty factor of the optimized rate coefficient.
No. | Reaction No. | Reaction | Type | $x_{i}^*$ | Multiplier | $f_{i, trial}$ | $f^{*}_{i, opt}$ |
---|---|---|---|---|---|---|---|
1 | 1 | H+O2=O+OH | A | -0.001 | 1 | 1.15 | 1.11 |
2 | 2 | H2+O=H+OH | A | -0.097 | 0.955 | 1.6 | 1.57 |
3 | 3 | H2+O=H+OH | A | -0.309 | 0.865 | 1.6 | 1.52 |
4 | 4 | H2+OH=H+H2O | A | -0.006 | 0.999 | 1.2 | 1.18 |
5 | 6 | H2+M=2H+M | A | -0.152 | 0.846 | 3 | 2.53 |
6 | 12 | H+O+M=OH+M | A | 0 | 1.001 | 5 | 4.33 |
7 | 13 | H2O+M=H+OH+M | A | -0.023 | 0.974 | 3.2 | 2.66 |
8 | 15 | H+O2(+M)=HO2(+M) | A | 0.185 | 1.137 | 2 | 1.33 |
9 | 15 | H+O2(+M)=HO2(+M) | M = AR | 0.069 | 1.025 | 1.43 | 1.37 |
10 | 15 | H+O2(+M)=HO2(+M) | M = CO2 | 0.052 | 1.035 | 1.95 | 1.78 |
11 | 15 | H+O2(+M)=HO2(+M) | M = H2O | -0.024 | 0.984 | 2 | 1.6 |
12 | 16 | H+HO2=H2+O2 | A | -0.169 | 0.889 | 2 | 1.57 |
13 | 17 | H+HO2=2OH | A | -0.155 | 0.898 | 2 | 1.56 |
14 | 18 | H+HO2=H2O+O | A | 0.097 | 1.112 | 3 | 2.96 |
15 | 19 | HO2+O=O2+OH | A | 0.049 | 1.056 | 3 | 2.86 |
16 | 20 | HO2+OH=H2O+O2 | A | 0.185 | 1.091 | 1.6 | 1.56 |
17 | 24 | H2O2(+M)=2OH(+M) | A | -0.042 | 0.963 | 2.5 | 1.5 |
18 | 24 | H2O2(+M)=2OH(+M) | M = AR | -0.04 | 0.986 | 1.43 | 1.4 |
19 | 28 | H2O2+OH=H2O+HO2 | A | 0.017 | 1.012 | 2 | 1.94 |
20 | 29 | H2O2+OH=H2O+HO2 | A | 0.021 | 1.005 | 1.3 | 1.28 |
21 | 30 | CO+O(+M)=CO2(+M) | A | 0.115 | 1.135 | 3 | 2.74 |
22 | 31 | CO+O2=CO2+O | A | -0.093 | 0.807 | 10 | 7.05 |
23 | 32 | CO+OH=CO2+H | A | -0.235 | 0.958 | 1.2 | 1.15 |
24 | 33 | CO+OH=CO2+H | A | -0.245 | 0.905 | 1.5 | 1.46 |
25 | 35 | HCO+M=CO+H+M | A | 0.215 | 1.121 | 1.7 | 1.56 |
26 | 35 | HCO+M=CO+H+M | M = AR | -0.09 | 0.968 | 1.43 | 1.4 |
27 | 36 | H+HCO=CO+H2 | A | -0.009 | 0.992 | 2.5 | 2.19 |
28 | 40 | HCO+O2=CO+HO2 | A | -0.229 | 0.853 | 2 | 1.76 |
29 | 47 | CH+H2=CH2+H | A | -0.311 | 0.71 | 3 | 2.6 |
30 | 49 | CH+H2O=CH2O+H | A | 0.13 | 1.153 | 3 | 2.92 |
31 | 57 | CH2+O=>CO+2H | A | 0.099 | 1.095 | 2.5 | 2.49 |
32 | 58 | CH2+OH=CH2O+H | A | 0.131 | 1.154 | 3 | 2.9 |
33 | 61 | CH2+H2=CH3+H | A | -0.109 | 0.86 | 4 | 3.41 |
34 | 62 | CH2+O2=>CO+H+OH | A | -0.149 | 0.902 | 2 | 1.96 |
35 | 63 | CH2+O2=>CO2+2H | A | -0.267 | 0.831 | 2 | 1.94 |
36 | 79 | CH2(S)+H2O(+M)=CH3OH(+M) | A | 0.029 | 1.032 | 3 | 2.45 |
37 | 86 | H+HCO(+M)=CH2O(+M) | A | -0.032 | 0.965 | 3 | 2.65 |
38 | 88 | CH2O+H=H2+HCO | A | -0.071 | 0.952 | 2 | 1.92 |
39 | 89 | CH2O+H=>CO+H2+H | A | 0.26 | 1.519 | 5 | 3.05 |
40 | 90 | CH2O+O=HCO+OH | A | -0.123 | 0.821 | 5 | 4.83 |
41 | 91 | CH2O+O=>CO+H+OH | A | 0.053 | 1.088 | 5 | 4.92 |
42 | 92 | CH2O+OH=H2O+HCO | A | 0.001 | 1.002 | 5 | 3.98 |
43 | 93 | CH2O+OH=>CO+H+H2O | A | 0.279 | 1.568 | 5 | 4.54 |
44 | 94 | CH2O+O2=HCO+HO2 | A | 0.232 | 1.291 | 3 | 2.58 |
45 | 95 | CH2O+HO2=H2O2+HCO | A | 0.282 | 1.216 | 2 | 1.77 |
46 | 101 | CH3+H(+M)=CH4(+M) | A | 0.015 | 1.006 | 1.5 | 1.35 |
47 | 101 | CH3+H(+M)=CH4(+M) | M = AR | 0.102 | 1.059 | 1.75 | 1.55 |
48 | 101 | CH3+H(+M)=CH4(+M) | M = H2O | -0.109 | 0.927 | 2 | 1.89 |
49 | 102 | CH3+O=CH2O+H | A | 0.199 | 1.069 | 1.4 | 1.39 |
50 | 106 | CH3+OH=CH2(S)+H2O | A | -0.271 | 0.743 | 3 | 2.67 |
51 | 107 | CH3+OH=CH2O+H2 | A | 0.058 | 1.066 | 3 | 2.98 |
52 | 108 | CH3+HO2=CH4+O2 | A | -0.29 | 0.727 | 3 | 2.33 |
53 | 109 | CH3+HO2=CH3O+OH | A | -0.283 | 0.733 | 3 | 1.85 |
54 | 110 | CH3+O2=CH3O+O | A | 0.129 | 1.094 | 2 | 1.85 |
55 | 111 | CH3+O2=CH2O+OH | A | 0.487 | 1.708 | 3 | 2.06 |
56 | 113 | CH+CH3=C2H3+H | A | 0.093 | 1.239 | 10 | 9.91 |
57 | 114 | CH2+CH3=C2H4+H | A | 0.404 | 1.559 | 3 | 2.74 |
58 | 116 | 2CH3(+M)=C2H6(+M) | A | -0.055 | 0.962 | 2 | 1.67 |
59 | 117 | 2CH3=C2H5+H | A | 0.421 | 1.338 | 2 | 1.63 |
60 | 119 | CH2O+CH3=CH4+HCO | A | 0.125 | 1.09 | 2 | 1.97 |
61 | 133 | CH2OH(+M)=CH2O+H(+M) | A | 0.023 | 1.016 | 2 | 1.9 |
62 | 136 | CH2OH+H=CH3+OH | A | 0.198 | 1.198 | 2.5 | 2.3 |
63 | 143 | CH4+H=CH3+H2 | A | 0.305 | 1.132 | 1.5 | 1.43 |
64 | 146 | CH4+HO2=CH3+H2O2 | A | -0.185 | 0.844 | 2.5 | 2.39 |
65 | 151 | CH3OH+H=CH2OH+H2 | A | 0.218 | 1.353 | 4 | 2.82 |
66 | 152 | CH3OH+H=CH3O+H2 | A | -0.049 | 0.934 | 4 | 3.89 |
67 | 156 | CH3OH+OH=CH3O+H2O | A | -0.075 | 0.942 | 2.2 | 1.97 |
68 | 157 | CH3OH+O2=CH2OH+HO2 | A | 0.094 | 1.108 | 3 | 2.96 |
69 | 158 | CH3OH+HO2=CH2OH+H2O2 | A | 0.428 | 1.6 | 3 | 1.68 |
70 | 179 | CH3O2+O2=>CH2O+OH+O2 | A | -0.687 | 0.47 | 3 | 2.02 |
71 | 183 | CH3+CH3O2=2CH3O | A | -0.062 | 0.934 | 3 | 2.95 |
72 | 204 | HCCO+O2=>CO+CO2+H | A | 0.16 | 1.293 | 5 | 2.75 |
73 | 205 | HCCO+OH=>CH2O+CO | A | -0.385 | 0.655 | 3 | 2.42 |
74 | 206 | HCCO+OH=>CO+H+HCO | A | 0.371 | 1.503 | 3 | 2.35 |
75 | 210 | C2H2(+M)=H2CC(+M) | A | 0.208 | 1.257 | 3 | 2.8 |
76 | 211 | C2H+H2=C2H2+H | A | -0.118 | 0.921 | 2 | 1.99 |
77 | 213 | C2H2+O=H+HCCO | A | 0.039 | 1.028 | 2 | 1.69 |
78 | 214 | C2H2+O=CH2+CO | A | -0.14 | 0.849 | 3.2 | 2.9 |
79 | 215 | C2H2+OH=CH2CO+H | A | 0.123 | 1.145 | 3 | 2.62 |
80 | 219 | C2H2+HO2=>H+HCCO+OH | A | -0.042 | 0.934 | 5 | 4.57 |
81 | 222 | H2CC+O2=2HCO | A | -0.31 | 0.607 | 5 | 3.77 |
82 | 223 | CH2+CO(+M)=CH2CO(+M) | A | 0.076 | 1.087 | 3 | 2.97 |
83 | 225 | CH2CO+H=CH3+CO | A | -0.17 | 0.829 | 3 | 2.84 |
84 | 229 | CH2CO+O=CH2O+CO | A | -0.044 | 0.904 | 10 | 9.95 |
85 | 230 | CH2CO+OH=H2O+HCCO | A | 0.123 | 1.326 | 10 | 9.51 |
86 | 231 | CH2CO+OH=CH3+CO2 | A | -0.046 | 0.92 | 6 | 5.96 |
87 | 232 | CH2CO+OH=CH2OH+CO | A | 0.331 | 1.808 | 6 | 5.25 |
88 | 234 | C2H2+H(+M)=C2H3(+M) | A | -0.398 | 0.759 | 2 | 1.73 |
89 | 236 | C2H3+H=H2+H2CC | A | 0.359 | 1.644 | 4 | 3.5 |
90 | 237 | C2H3+O=CH2CO+H | A | 0.08 | 1.097 | 3.2 | 3.19 |
91 | 238 | C2H3+OH=C2H2+H2O | A | 0.07 | 1.08 | 3 | 2.97 |
92 | 239 | C2H3+OH=CH3+HCO | A | 0.047 | 1.053 | 3 | 2.99 |
93 | 243 | C2H3+O2=CH2CHO+O | A | -0.154 | 0.899 | 2 | 1.64 |
94 | 245 | C2H3+O2=CH2O+HCO | A | -0.043 | 0.971 | 2 | 1.92 |
95 | 246 | C2H3+O2=>CH2O+CO+H | A | -0.324 | 0.799 | 2 | 1.91 |
96 | 250 | C2H3+HO2=CH2CHO+OH | A | 0.049 | 1.055 | 3 | 2.99 |
97 | 251 | C2H3+CH3=C2H2+CH4 | A | 0.107 | 1.124 | 3 | 2.97 |
98 | 252 | CH2CHO(+M)=CH2CO+H(+M) | A | -0.39 | 0.652 | 3 | 2.68 |
99 | 253 | CH2CHO(+M)=CH3+CO(+M) | A | 0.191 | 1.233 | 3 | 2.84 |
100 | 255 | CH2CHO+H=CH3+HCO | A | 0.273 | 1.35 | 3 | 2.77 |
101 | 256 | CH2CHO+H=CH2CO+H2 | A | 0.064 | 1.073 | 3 | 2.99 |
102 | 259 | CH2CHO+O=>CH2+CO2+H | A | -0.082 | 0.945 | 2 | 1.99 |
103 | 262 | CH2CHO+O2=>CH2O+CO+OH | A | 0.07 | 1.119 | 5 | 4.83 |
104 | 263 | CH2CHO+HO2=>CH3+CO2+OH | A | -0.056 | 0.94 | 3 | 2.97 |
105 | 283 | C2H2OH+O2=>CO+H2O+HCO | A | 0.067 | 1.047 | 2 | 1.96 |
106 | 284 | C2H2OH+O2=>CH2O+HCO+O | A | -0.068 | 0.954 | 2 | 1.94 |
107 | 288 | C2H4(+M)=H2+H2CC(+M) | A | -0.144 | 0.854 | 3 | 2.81 |
108 | 289 | C2H4+H=C2H3+H2 | A | 0.039 | 1.037 | 2.5 | 2.25 |
109 | 290 | C2H4+O=CH3+HCO | A | 0.155 | 1.114 | 2 | 1.99 |
110 | 292 | C2H4+O=CH2CHO+H | A | 0.022 | 1.016 | 2 | 1.93 |
111 | 295 | C2H4+OH=C2H3+H2O | A | -0.201 | 0.87 | 2 | 1.74 |
112 | 299 | C2H4+O2=C2H3+HO2 | A | 0.037 | 1.061 | 5 | 4.94 |
113 | 300 | C2H4+HO2=C2H4O+OH | A | 0.198 | 1.123 | 1.8 | 1.73 |
114 | 301 | C2H4+CH3=C2H3+CH4 | A | 0.129 | 1.162 | 3.2 | 3.13 |
115 | 303 | CH3CHO(+M)=CH3+HCO(+M) | A | -0.037 | 0.975 | 2 | 1.83 |
116 | 326 | C2H4O=CH3+HCO | A | 0.051 | 1.074 | 4 | 3.98 |
117 | 336 | C2H4+H(+M)=C2H5(+M) | A | -0.597 | 0.661 | 2 | 1.54 |
118 | 336 | C2H4+H(+M)=C2H5(+M) | M = AR | -0.376 | 0.81 | 1.75 | 1.68 |
119 | 338 | C2H5+O=CH2O+CH3 | A | 0.098 | 1.146 | 4 | 3.98 |
120 | 339 | C2H5+O=CH3CHO+H | A | 0.107 | 1.16 | 4 | 3.99 |
121 | 340 | C2H5+O=C2H4+OH | A | 0.06 | 1.086 | 4 | 4 |
122 | 341 | C2H5+OH=C2H4+H2O | A | 0.062 | 1.07 | 3 | 2.99 |
123 | 342 | C2H5+OH=CH2OH+CH3 | A | 0.054 | 1.061 | 3 | 2.99 |
124 | 343 | C2H5+O2=C2H4+HO2 | A | 0.123 | 1.089 | 2 | 1.89 |
125 | 349 | C2H5+H(+M)=C2H6(+M) | A | 0.091 | 1.065 | 2 | 1.99 |
126 | 350 | C2H6+H=C2H5+H2 | A | 0.234 | 1.082 | 1.4 | 1.37 |
127 | 351 | C2H6+O=C2H5+OH | A | -0.187 | 0.878 | 2 | 1.96 |
128 | 354 | C2H6+HO2=C2H5+H2O2 | A | 0.039 | 1.028 | 2 | 1.94 |
129 | 357 | C2H6+CH3=C2H5+CH4 | A | -0.103 | 0.931 | 2 | 1.96 |
130 | 358 | CH3CHOH=CH3CHO+H | A | 0.149 | 1.147 | 2.5 | 2.42 |
131 | 359 | CH3CHOH=C2H3OH+H | A | 0.149 | 1.147 | 2.5 | 2.4 |
132 | 361 | CH3CHOH+H=CH3CHO+H2 | A | -0.151 | 0.847 | 3 | 2.9 |
133 | 364 | CH3CHOH+O2=CH3CHO+HO2 | A | 0.063 | 1.071 | 3 | 2.85 |
134 | 365 | CH3CHOH+OH=CH3CHO+H2O | A | -0.04 | 0.946 | 4 | 3.96 |
135 | 367 | CH3+CH3CHOH=CH3CHO+CH4 | A | -0.117 | 0.851 | 4 | 3.86 |
136 | 369 | C2H4OH+H=C2H3OH+H2 | A | -0.05 | 0.947 | 3 | 2.99 |
137 | 373 | C2H4OH+O2=C2H3OH+HO2 | A | -0.067 | 0.929 | 3 | 2.93 |
138 | 378 | C2H5OH(+M)=C2H4+H2O(+M) | A | 0.093 | 1.107 | 3 | 2.92 |
139 | 380 | CH2OH+CH3(+M)=C2H5OH(+M) | A | 0.217 | 1.269 | 3 | 2.04 |
140 | 381 | C2H5OH+H=CH3CHOH+H2 | A | -0.099 | 0.934 | 2 | 1.95 |
141 | 392 | C2H5OH+HO2=CH3CHOH+H2O2 | A | -0.008 | 0.992 | 3 | 2.71 |
142 | 423 | C3H3+O2=CH2CO+HCO | A | 0.053 | 1.038 | 2 | 1.84 |
143 | 424 | C3H3+OH=C2H3+HCO | A | 0.339 | 1.727 | 5 | 3.75 |
144 | 425 | C3H3+OH=C2H4+CO | A | -0.11 | 0.838 | 5 | 4.84 |
145 | 426 | C3H3+HO2=>C2H3+CO+OH | A | 0.276 | 1.559 | 5 | 4.18 |
146 | 427 | C3H3+HO2=O2+PC3H4 | A | 0.219 | 1.423 | 5 | 3.17 |
147 | 428 | C3H3+HO2=AC3H4+O2 | A | -0.196 | 0.73 | 5 | 3.24 |
148 | 433 | C3H3+H=AC3H4 | A | -0.013 | 0.985 | 3 | 2.83 |
149 | 435 | C2H4+CH=AC3H4+H | A | 0.134 | 1.241 | 5 | 4.94 |
150 | 436 | AC3H4+H=C3H3+H2 | A | -0.078 | 0.882 | 5 | 4.83 |
151 | 444 | AC3H4+CH3=C3H3+CH4 | A | -0.188 | 0.878 | 2 | 1.95 |
152 | 448 | AC3H4=PC3H4 | A | 0.125 | 1.147 | 3 | 2.96 |
153 | 449 | C3H3+H=PC3H4 | A | 0.04 | 1.028 | 2 | 1.93 |
154 | 450 | C2H4+CH=H+PC3H4 | A | 0.146 | 1.265 | 5 | 4.94 |
155 | 451 | H+PC3H4=AC3H4+H | A | 0.078 | 1.089 | 3 | 2.98 |
156 | 453 | C2H2+CH3=H+PC3H4 | A | -0.145 | 0.905 | 2 | 1.93 |
157 | 455 | O+PC3H4=CH3+HCCO | A | 0.046 | 1.052 | 3 | 2.99 |
158 | 456 | O+PC3H4=C2H4+CO | A | -0.101 | 0.895 | 3 | 2.99 |
159 | 460 | HO2+PC3H4=C3H3+H2O2 | A | 0.064 | 1.073 | 3 | 2.96 |
160 | 466 | C3H3+OH=>C2H3CHO | A | -0.037 | 0.943 | 5 | 4.98 |
161 | 469 | C2H3CHO+H=C2H4+HCO | A | 0.048 | 1.081 | 5 | 4.92 |
162 | 477 | C2H3CHO+CH3=>C2H3+CH4+CO | A | 0.072 | 1.123 | 5 | 4.95 |
163 | 484 | AC3H4+H=C3H5 | A | 0.081 | 1.094 | 3 | 2.59 |
164 | 486 | C2H3+CH3=C3H5+H | A | -0.013 | 0.986 | 3 | 2.82 |
165 | 487 | C2H4+CH2=C3H5+H | A | 0.411 | 1.937 | 5 | 4.58 |
166 | 489 | C2H3+C2H5=C3H5+CH3 | A | 0.037 | 1.062 | 5 | 4.98 |
167 | 497 | C3H5+HO2=>C2H3CHO+H+OH | A | 0.191 | 1.234 | 3 | 2.46 |
168 | 512 | CH3CCH2+OH=AC3H4+H2O | A | -0.034 | 0.946 | 5 | 5 |
169 | 519 | C2H3+CH3(+M)=C3H6(+M) | A | 0.143 | 1.17 | 3 | 2.8 |
170 | 520 | C3H5+H(+M)=C3H6(+M) | A | -0.062 | 0.934 | 3 | 2.14 |
171 | 523 | C3H6+H=C3H5+H2 | A | 0.024 | 1.017 | 2 | 1.9 |
172 | 525 | C3H6+H=C2H4+CH3 | A | -0.003 | 0.997 | 3 | 2.34 |
173 | 531 | C3H6+O2=C3H5+HO2 | A | 0.06 | 1.042 | 2 | 1.85 |
174 | 532 | C3H6+OH=C3H5+H2O | A | -0.025 | 0.983 | 2 | 1.88 |
175 | 537 | C3H6+CH3=C3H5+CH4 | A | -0.057 | 0.912 | 5 | 4.8 |
176 | 552 | C3H6+H=IC3H7 | A | -0.025 | 0.973 | 3 | 2.8 |
177 | 557 | IC3H7+O2=C3H6+HO2 | A | 0.159 | 1.157 | 2.5 | 2.46 |
178 | 563 | C2H4+CH3=NC3H7 | A | 0.142 | 1.169 | 3 | 2.88 |
179 | 575 | CH3COCH3=CH3+CH3CO | A | -0.029 | 0.974 | 2.5 | 2 |
180 | 577 | CH3COCH3+H=CH3COCH2+H2 | A | 0.117 | 1.113 | 2.5 | 2.24 |
181 | 579 | CH3COCH2+O2=>CH2CO+CH2O+OH | A | 0.15 | 1.179 | 3 | 2.92 |
182 | 580 | CH3COCH3+O2=CH3COCH2+HO2 | A | 0.156 | 1.285 | 5 | 4.86 |
183 | 582 | CH3COCH3+HO2=CH3COCH2+H2O2 | A | 0.131 | 1.234 | 5 | 4.87 |
184 | 586 | CH2CO+CH3(+M)=CH3COCH2(+M) | A | -0.192 | 0.734 | 5 | 4.64 |
185 | 597 | C2H5CHO+O2=>C2H5+CO+HO2 | A | -0.036 | 0.944 | 5 | 5 |
186 | 610 | C3H8(+M)=C2H5+CH3(+M) | A | 0.211 | 1.158 | 2 | 1.75 |
187 | 611 | H+NC3H7=C3H8 | A | -0.128 | 0.814 | 5 | 4.76 |
188 | 612 | H+IC3H7=C3H8 | A | -0.107 | 0.842 | 5 | 4.81 |
189 | 613 | C3H8+H=H2+IC3H7 | A | -0.267 | 0.746 | 3 | 2.44 |
190 | 614 | C3H8+H=H2+NC3H7 | A | -0.174 | 0.826 | 3 | 2.27 |
191 | 620 | C3H8+OH=H2O+IC3H7 | A | -0.152 | 0.9 | 2 | 1.95 |
192 | 670 | IC3H7O2=>CH2CHO+CH3+OH | A | -0.052 | 0.92 | 5 | 4.27 |
193 | 691 | C4H2+O=H2C4O | A | -0.123 | 0.918 | 2 | 1.99 |
194 | 715 | H+IC4H3=C4H2+H2 | A | -0.116 | 0.829 | 5 | 4.72 |
195 | 719 | HO2+IC4H3=>H2CC+HCCO+OH | A | 0.042 | 1.071 | 5 | 4.92 |
196 | 720 | CH3+IC4H3=C4H2+CH4 | A | -0.113 | 0.834 | 5 | 4.89 |
197 | 721 | CH4+IC4H3=C4H4+CH3 | A | 0.044 | 1.073 | 5 | 4.12 |
198 | 726 | C2H2+C2H3=C4H4+H | A | 0.054 | 1.062 | 3 | 2.99 |
199 | 735 | C4H4+H(+M)=NC4H5(+M) | A | -0.069 | 0.895 | 5 | 4.86 |
200 | 742 | NC4H5+O2=CH2CHCHCHO+O | A | 0.186 | 1.35 | 5 | 4.7 |
201 | 743 | NC4H5+O2=C2H3CHO+HCO | A | -0.116 | 0.83 | 5 | 4.48 |
202 | 751 | C4H4+H(+M)=IC4H5(+M) | A | 0.322 | 1.678 | 5 | 4.26 |
203 | 755 | IC4H5+O=C2H3+CH2CO | A | -0.042 | 0.935 | 5 | 5 |
204 | 762 | CH3+IC4H5=C4H4+CH4 | A | -0.035 | 0.946 | 5 | 4.98 |
205 | 763 | C4H5-2=IC4H5 | A | -0.115 | 0.831 | 5 | 4.87 |
206 | 764 | C4H5-2+H=C3H3+CH3 | A | -0.052 | 0.93 | 4 | 3.96 |
207 | 769 | 2C2H3=C4H6 | A | 0.049 | 1.07 | 4 | 3.99 |
208 | 770 | C2H4+H2CC=C4H6 | A | 0.282 | 1.573 | 5 | 4.47 |
209 | 775 | C4H6+H=H2+NC4H5 | A | 0.069 | 1.117 | 5 | 4.72 |
210 | 776 | C4H6+H=H2+IC4H5 | A | -0.174 | 0.756 | 5 | 4.47 |
211 | 778 | C4H6+H=AC3H4+CH3 | A | -0.04 | 0.937 | 5 | 4.97 |
212 | 779 | C2H3+C2H4=C4H6+H | A | 0.237 | 1.178 | 2 | 1.91 |
213 | 780 | C4H6+O=NC4H5+OH | A | 0.055 | 1.092 | 5 | 4.97 |
214 | 784 | C4H6+OH=H2O+NC4H5 | A | 0.145 | 1.173 | 3 | 2.85 |
215 | 785 | C4H6+OH=H2O+IC4H5 | A | -0.232 | 0.688 | 5 | 4.38 |
216 | 786 | C4H6+HO2=C2H3COCH3+OH | A | 0.112 | 1.131 | 3 | 2.97 |
217 | 789 | C4H6+CH3=CH4+NC4H5 | A | 0.081 | 1.093 | 3 | 2.97 |
218 | 798 | C3H3+CH3=C4H612 | A | 0.04 | 1.057 | 4 | 3.97 |
219 | 814 | C4H6-2=C4H6 | A | -0.072 | 0.924 | 3 | 2.99 |
220 | 842 | C4H6+H=C4H7 | A | -0.046 | 0.951 | 3 | 2.54 |
221 | 843 | C4H7+H=C3H5+CH3 | A | 0.028 | 1.046 | 5 | 4 |
222 | 847 | C4H7+O2=C4H6+HO2 | A | -0.333 | 0.585 | 5 | 3.48 |
223 | 848 | C4H7+HO2=>C3H5+CH2O+OH | A | 0.082 | 1.141 | 5 | 4.81 |
224 | 850 | C4H7+CH3=C4H6+CH4 | A | 0.062 | 1.105 | 5 | 4.92 |
225 | 851 | AC3H4+CH3(+M)=IC4H7(+M) | A | 0.283 | 1.481 | 4 | 3.64 |
226 | 855 | IC4H7+O=CH2O+CH3CCH2 | A | 0.031 | 1.074 | 10 | 9.95 |
227 | 857 | IC4H7+O2=>AC3H4+CH2O+OH | A | -0.116 | 0.83 | 5 | 4.57 |
228 | 858 | HO2+IC4H7=CH2O+CH3CCH2+OH | A | -0.098 | 0.799 | 10 | 8.13 |
229 | 868 | C3H5+CH3=C4H81 | A | 0.094 | 1.109 | 3 | 2.7 |
230 | 871 | C4H81+H=C3H6+CH3 | A | 0.214 | 1.412 | 5 | 3.79 |
231 | 885 | C4H82+H=C3H6+CH3 | A | 0.065 | 1.11 | 5 | 4.75 |
232 | 892 | C4H82+CH3=C4H7+CH4 | A | 0.07 | 1.08 | 3 | 2.92 |
233 | 893 | H+IC4H7=IC4H8 | A | -0.039 | 0.958 | 3 | 2.64 |
234 | 895 | CH3+CH3CCH2=IC4H8 | A | 0.096 | 1.111 | 3 | 2.72 |
235 | 896 | H+IC4H8=H2+IC4H7 | A | 0.004 | 1.005 | 3 | 2.78 |
236 | 898 | H+IC4H8=C3H6+CH3 | A | -0.022 | 0.976 | 3 | 2.61 |
237 | 900 | IC4H8+O=HCO+IC3H7 | A | 0.057 | 1.065 | 3 | 2.97 |
238 | 903 | IC4H8+OH=H2O+IC4H7 | A | -0.126 | 0.871 | 3 | 2.89 |
239 | 905 | IC4H8+O2=HO2+IC4H7 | A | -0.28 | 0.735 | 3 | 2.44 |
240 | 910 | CH3+IC4H8=CH4+IC4H7 | A | -0.246 | 0.764 | 3 | 2.39 |
241 | 912 | IC4H8=C4H81 | A | -0.507 | 0.442 | 5 | 3.3 |
242 | 913 | IC4H8=C4H82 | A | -0.654 | 0.349 | 5 | 2.98 |
243 | 922 | HO2+NC4H9=>CH2O+NC3H7+OH | A | -0.039 | 0.939 | 5 | 4.98 |
244 | 925 | C4H81+H(+M)=SC4H9(+M) | A | 0.058 | 1.065 | 3 | 2.99 |
245 | 963 | CH3+NC3H7(+M)=C4H10(+M) | A | 0.121 | 1.087 | 2 | 1.98 |
246 | 964 | 2C2H5(+M)=C4H10(+M) | A | 0.28 | 1.214 | 2 | 1.93 |
247 | 966 | C4H10+H=H2+SC4H9 | A | -0.573 | 0.672 | 2 | 1.73 |
248 | 967 | C4H10+O=NC4H9+OH | A | 0.046 | 1.052 | 3 | 2.98 |
249 | 968 | C4H10+O=OH+SC4H9 | A | -0.074 | 0.922 | 3 | 2.96 |
250 | 969 | C4H10+OH=H2O+NC4H9 | A | 0.081 | 1.093 | 3 | 2.87 |
251 | 970 | C4H10+OH=H2O+SC4H9 | A | -0.291 | 0.726 | 3 | 2.75 |
252 | 974 | C4H10+HO2=H2O2+SC4H9 | A | 0.065 | 1.074 | 3 | 2.97 |
253 | 975 | C4H10+CH3=CH4+NC4H9 | A | 0.195 | 1.239 | 3 | 2.9 |
254 | 976 | C4H10+CH3=CH4+SC4H9 | A | -0.074 | 0.922 | 3 | 2.99 |
255 | 979 | CH3+IC3H7(+M)=IC4H10(+M) | A | 0.108 | 1.078 | 2 | 1.92 |
256 | 980 | H+IC4H10=H2+IC4H9 | A | -0.211 | 0.793 | 3 | 2.64 |
257 | 981 | H+IC4H10=H2+TC4H9 | A | -0.116 | 0.881 | 3 | 2.89 |
258 | 984 | IC4H10+OH=H2O+IC4H9 | A | -0.053 | 0.944 | 3 | 2.97 |