No. | Gas Phase Reactions | A* | β (-) | Ea (cal/mol) | Ref. |
1. | H + H + M = H2 + M | 1.00 × 1018 | −1.0 | 0.0 | |
H2 Enhanced by 2.0 | |||||
2. | H + H + H2 = H2 + H2 | 9.20 × 1016 | −0.6 | 0.0 | |
3. | CH3 + CH3 (+M) = C2H6 (+M) | 9.22 × 1016 | −1.174 | 636.0 | |
Low pressure limit: 1.14 × 1036 –5.246 1705.0 | |||||
TROE centering: 0.405 1120.0 69.6 1.0 × 1015 | |||||
H2 Enhanced by 2.0 | |||||
4. | CH3 + H (+M) = CH4 (+M) | 2.14 × 1015 | –0.4 | 0.0 | |
Low pressure limit: 3.31 × 1030 –4.0 2108.0 | |||||
TROE centering: 0.0 1.00 × 10–15 1.0 × 10–15 40 | |||||
H2 Enhanced by 2.0 | |||||
5. | CH4 + H = CH3 + H2 | 2.20 × 104 | 3.0 | 8750.0 | |
6. | CH3 + H = CH2 + H2 | 9.00 × 1013 | 0.0 | 15100.0 | |
7. | CH3 + M = CH + H2 + M | 6.90 × 1014 | 0.0 | 82469.0 | |
8. | CH3 + M = CH2 + H + M | 1.90 × 1016 | 0.0 | 91411.0 | |
9. | CH2 + H = CH + H2 | 1.00 × 1018 | –1.56 | 0.0 | |
10. | CH2 + CH3 = C2H4 + H | 4.00 × 1013 | 0.0 | 0.0 | |
11. | CH2 + CH2 = C2H2 + H + H | 4.00 × 1013 | 0.0 | 0.0 | |
12. | CH2(S) + M = CH2 + M | 1.00 × 1013 | 0.0 | 0.0 | |
H2 Enhanced by 12.0 | |||||
C2H2 Enhanced by 4.0 | |||||
13. | CH2(S) + CH4 = CH3 + CH3 | 4.00 × 1013 | 0.0 | 0.0 | |
14. | CH2(S) + C2H6 = CH3 + C2H5 | 1.20 × 1014 | 0.0 | 0.0 | |
15. | CH2(S) + H2 = CH3 + H | 7.00 × 1013 | 0.0 | 0.0 | |
16. | CH2(S) + H = CH + H2 | 3.00 × 1013 | 0.0 | 0.0 | |
17. | CH2(S) + CH3 = C2H4 + H | 2.00 × 1013 | 0.0 | 0.0 | |
18. | CH + H = C + H2 | 1.50 × 1014 | 0.0 | 0.0 | |
18. | CH + CH2 = C2H2 + H | 4.00 × 1013 | 0.0 | 0.0 | |
20. | CH + CH3 = C2H3 + H | 3.00 × 1013 | 0.0 | 0.0 | |
21. | CH + CH4 = C2H4 + H | 6.00 × 1013 | 0.0 | 0.0 | |
22. | C + CH3 = C2H2 + H | 5.00 × 1013 | 0.0 | 0.0 | |
23. | C + CH2 = C2H + H | 5.00 × 1013 | 0.0 | 0.0 | |
24. | C2H6 + CH3 = C2H5 + CH4 | 5.50 × 10−1 | 4.0 | 8300.0 | |
25. | C2H6 + H = C2H5 + H2 | 5.40 × 102 | 3.5 | 5210.0 | |
26. | C2H5 + H = C2H4 + H2 | 1.25 × 1014 | 0.0 | 8000.0 | |
27. | C2H5 + H = CH3 + CH3 | 3.00 × 1013 | 0.0 | 0.0 | |
28. | C2H5 + H = C2H6 | 1.00 × 1014 | 0.0 | 0.0 | |
29. | C2H4 + H = C2H3 + H2 | 3.36 × 10−7 | 6.0 | 1692.0 | |
30. | C2H4 + CH3 = C2H3 + CH4 | 6.62 | 3.7 | 9500.0 | |
31. | C2H4 + H (+M) = C2H5 (+M) | 1.08 × 1012 | 0.454 | 1822.0 | |
Low pressure limit: 1.112 × 1034 –5.0 4448.0 | |||||
TROE centering: 1.0 1.00 × 10–15 95.0 200.0 | |||||
H2 Enhanced by 2.0 |