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Table 1
Hydrocarbon reactions.
| Reaction | Rate coefficient | Reference | |
|
|
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| R1a | 1CH2 + H2 → CH3 + H | 9.24 × 10-11 | Langford et al. (1983) |
| R1b | 1CH2 + H2 → 3CH2 + H2 | 1.26 × 10-11 | Langford et al. (1983) |
| R2 | 1CH2 + CH4 → CH3 + CH3 | 6.0 × 10-11 | Böhland et al. (1985) |
| R3 | CH + CH4 → C2H4 + H | 3.96 × 10-8T-1.04e− 36.1 /T | Canosa et al. (1997) |
| R4 | CH + H2 + M → CH3 + M | k0 = 8.75 × 10-31e524 /T | Moses et al. (2005) |
| k∞ = 8.3 × 10-11 | Fulle & Hippler (1997) | ||
| R5 | H + CH3 + M → CH4 + M | k0 = 1.7 × 10-24T-1.8 | Baulch et al. (1994) |
| k∞ = 3.5 × 10-10 | |||
| R6 | CH3 + CH3 + M → C2H6 + M | k0 = 2.822 × 10-3T-8.749e− 985.4 /T | Cody et al. (2003); |
| k∞ = 9.3132 × 10-11e− 1.519 × 10-3T | Lavvas et al. (2008) | ||
| R7 | H + H + M → H2 + M | k0 = 1.5 × 10-29T-1.3 | Tsang & Hampson (1986) |
| k∞ = 1.0 × 10-11 | Lavvas et al. (2008) | ||
| R8 | H + C2H2 + M → C2H3 + M | k0 = 2.6 × 10-31 | Baulch et al. (1992) |
| k∞ = 3.8 × 10-11e− 1374 /T | |||
| R9 | H + C2H3 → C2H2 + H2 | 3.30 × 10-11 | Monks et al. (1995) |
| R10 | H2 + C2H3 → C2H4 + H | 2.6 × 10-13e− 2646 /T | Fahr & Laufer (1995) |
| R11 | H + C2H4 + M → C2H5 + M | k0 = 2.15 × 10-29T-2e− 349 /T | Baulch et al. (1994) |
| k∞ = 4.95 × 10-11e− 1051 /T | |||
| R12 | H + C2H5 → CH3 + CH3 | 7.95 × 10-11e− 127 /T | Pratt & Wood (1984) |
| R13 | 3CH2 + H + M → CH3 + M | k0 = 3.4 × 10-32e736 /T | Moses et al. (2000) |
| k∞ = 7.3 × 10-12 | |||
| R14 | 3CH2 + CH3 → C2H4 + H | 7.0 × 10-11 | Tsang & Hampson (1986) |
| R15 | 3CH2 + C2H2 + M → CH3C2H + M | k0 = 6.0 × 10-29e1680 /T | Böhland et al. (1988) |
| k∞ = 2.0 × 10-12e− 3330 /T | |||
| R16 | C2H + H + M → C2H2 + M | k0 = 1.26 × 10-18e− 721 /T | Tsang & Hampson (1986) |
| k∞ = 3.0 × 10-10 | |||
| R17 | C2H + H2 → C2H2 + H | 5.58 × 10-11e− 1443 /T | Opansky & Leone (1996b) |
| R18 | C2H + CH4 → C2H2 + CH3 | 6.94 × 10-12e− 250 /T | Opansky & Leone (1996a) |
| R19 | C2H + C2H6 → C2H2 + C2H5 | 5.1 × 10-11e− 76/T | Murhpy et al. (2003) |
| R20 | C2H + C2H2 → C4H2 + H | 1.3 × 10-10 | Vakhtin et al. (2001) |
| R21 | CH3C2H + H → CH3 + C2H2 | 9.62 × 10-12e− 1560 /T | Wagner & Zellner (1972) |
| R22 | CH3C2H + H + M → 3H5 + M | k0 = 8.0 × 10-24T-2e− 1225 /T | Yung et al. (1984) |
| k∞ = 9.7 × 10-12e− 1550 /T | Wang et al. (2000) | ||
| R23 | C2H3 + C2H3 → C2H4 + C2H2 | 3.5 × 10-11 | Laufer & Fahr (2004) |
| R24 | C2H3 + C2H3 + M → C4H6 + M | k0 = 2.822 × 10-3T-8.749e− 985.4 /T | Lavvas et al. (2008) |
| k∞ = 9.5 × 10-11 | Laufer & Fahr (2004) | ||
| R25 | C4H + H2 → C4H2 + H | 1.20 × 10-11e− 998 /T | Lavvas et al. (2008) |
| R26 | C4H + CH4 → C4H2 + CH3 | 1.2 × 10-11e− 491 /T | Lavvas et al. (2008) |
| R27 | C4H + C2H6 → C4H2 + C2H5 | 5.1 × 10-11e− 76 /T | Lavvas et al. (2008) |
| R28 | C4H + H + M → C4H2 + M | k0 = 1.26 × 10-18T-3.1e− 721 /T | Moses et al. (2000) |
| k∞ = 3.0 × 10-10 | |||
| R29 | CH4 + C2H2 → C6H2 + H | 1.3 × 10-10 | Lavvas et al. (2008) |
| R30 | C4H + C4H2 → C8H2 + H | 1.1 × 10-10e28 /T | Moses et al. (2000) |
| R31 | C2H + C4H2 → C6H2 + H | 1.3 × 10-10 | Lavvas et al. (2008) |
| R32 |
|
1.5 × 10-10 | Zwier & Allen (1996) |
| R33 | C4H2 + H → C4H3 | 1.4 × 10-10e− 1184 /T | Schwanebeck & Warnatz (1975); Nava et al. (1986) |
| R34a | C4H3 + H → C4H2 + H2 | 5.0 × 10-12 | Wang & Frenklach (1997) |
| R34b | C4H3 + H → C2H2 + C2H2 | 1.5 × 10-11 | Wang & Frenklach (1997) |
| R35 | C2 + H2 → C2H + H | 1.77 × 10-10e− 1469 /T | Pitts et al. (1982) |
| R36 | C2 + CH4 → C2H + CH3 | 5.05 × 10-11e− 297 /T | Pitts et al. (1982) |
| R37 | C2H + C2H4 → C2H2 + C2H3 | 1.8 × 10-11e− 302 /T | from Lara et al. (1996) |
| R38 | C4H + C2H4 → C4H2 + C2H3 | 1.4 × 10-10 | Vakhtin et al. (2001) |
| R39 | 1CH2 + N2 → 3CH2 + N2 | 7.9 × 10-12 | Ashfold et al. (1981) |
| R40 | 3CH2 + 3CH2 → C2H2 + H2 | 3.1 × 10-10 | Baulch et al. (1992) |
| R41 | C2H5 + CH3 → C2H4 + CH4 | 5.04 × 10-14T0.41e429 /T | Zhu et al. (2004) |
| R42 | C2H5 + CH3 + M → C3H8 + M | k0 = 2.822 × 10-3T-8.749e− 985.4 /T | Lavvas et al. (2008) |
| k∞ = 2.41 × 10-10T-0.34e− 259 /T | Zhu et al. (2004) | ||
| R43a | C2H5 + C2H3 → C2H6 + C2H2 | 2.81 × 10-12 | Tsang & Hampson (1986) |
| R43b | C2H5 + C2H3 → C2H4 + C2H4 | 2.81 × 10-12 | Tsang & Hampson (1986) |
| R44 | C2H5 + C2H5 → C2H6 + C2H4 | 2.3 × 10-12 | Baulch et al. (1992) |
| R45 | C2H5 + C2H5 + M → C4H10 + M | k0 = 6.723 × 10-11T-4.534 | Laufer et al. (1983); Baulch et al. (1992) |
| k∞ = 1.8 × 10-11 | |||
| R46 | C3H3 + H + M → CH3C2H + M | k0 = 5.5 × 10-27 | Moses et al. (2000) |
| k∞ = 2.5 × 10-10 | Homann & Wellmann (1983) | ||
| R47a | C3H5 + H → CH3C2H + H2 | 1.5 × 10-11 | Hanning-Lee & Pilling (1992) |
| R47b | C3H5 + H → CH2CCH2 + H2 | 1.5 × 10-11 | Hanning-Lee & Pilling (1992) |
| R48a | C3H5 + CH3 → CH3C2H + CH4 | 4.5 × 10-12 | Tsang (1991) |
| R48b | C3H5 + CH3 → CH2CCH2 + CH4 | 4.5 × 10-12 | Tsang (1991) |
| R49 | C3H2 + H + M → C3H3 + M | k0 = 2.52 × 10-28 | Moses et al. (2000) |
| k∞ = 5.0 × 10-11 | |||
| R50 | 3CH2 + C2H2 → C3H3 + H | 2.00 × 10-11e− 3332 /T | Tsang & Hampson (1986) |
| R51 | C3H8 + C2H → C2H2 + C3H7 | 9.8 × 10-11e− 71 /T | Murhpy et al. (2003) |
| R52 | C2H3 + CH3 + M → C3H6 + M | k0 = 6.0 × 10-28e1680 /T | Fahr et al. (1991) |
| k∞ = 1.2 × 10-10 | |||
| R53 | C3H5 + H + M → C3H6 + M | k0 = 2.0 × 10-28 | Moses et al. (2000) |
| k∞ = 1.0 × 10-11 | Hanning-Lee & Pilling (1992) | ||
| R54 | C2H3 + CH3 → C2H2 + CH4 | 3.4 × 10-11 | Fahr et al. (1991) |
| R55 | C2H3 + C2H5 + M → C4H8 + M | k0 = 2.822 × 10-3T-8.749e− 985.4 /T | Lavvas et al. (2008) |
| k∞ = 6.5 × 10-11 | Laufer & Fahr (2004) | ||
| R56 | C3H5 + CH3 + M → C4H8 + M | k0 = 2.822 × 10-3T-8.749e− 985.4 /T | Lavvas et al. (2008) |
| k∞ = 1.55 × 10-9T-0.54e117 /T | Knyazev & Slagle (2001) | ||
| R57 | C4H2 + H + M → C4H3 + M | k0 = 1.0 × 10-28 | Schwanebeck & Warnatz (1975) |
| k∞ = 1.39 × 10-10e− 1184 /T | Nava et al. (1986) | ||
| R58 |
|
1.0 × 103 | Zwier & Allen (1996) |
| R59 | CH + C2H4 → CH3C2H + H | 3.87 × 10-9T-0.55e− 29.6 /T | Canosa et al. (1997) |
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