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Kinetic Reactions
M
R181 2 H H2 k0 = 2.7 1031 T 0.6 Baulch et al. [1994]
k0 = 1.0 1032 , T 243 K Estimate
k = 1.0 1011 Estimate
R182 H + CH C + H2 1.3 1010 e(80/T ) Harding et al. [1993]
R183 H + 1 CH2 CH + H2 3.0 1010 Estimate
R184 H + 3 CH2 CH + H2 2.66 1010 Boullart and Peeters [1992]
M
R185 H + 3 CH2 CH3 k0 = 9.0 1032 e(550/T ) Est. based on 0.1 k0 for CH + H2
k = 8.55 1012 T 0.15 Est. based on 0.1 k for CH + H2
M
R186 H + CH3 CH4 k0 = 1.5 1024 T 1.8 Models A & B; based on
k0 = 6.0 1029 , T 277.5 K Brouard et al. [1989], Seakins
k = 1.92 108 T 0.5 e(400/T ) et al. [1997], and Baulch et al.
k = 4.823 1011 , T 110 K [1994]
Fc = 0.3 + 0.58e(T /800)
k0 = 7.81 1018 T 3.87 e(1222/T ) Model C; based on Brouard et al.
k0 = 3.46 1029 , T 316 K [1989] and Seakins et al. [1997]
k = 4.6 107 T 1 e(474/T )
k = 4.8 1011 , T 105 K
Fc = 0.31 + e(T /425)
Fc = 1.0, for T 157.7 K
R187 H + CH4 CH3 + H2 2.2 1020 T 3 e(4045/T ) Baulch et al. [1992]
M
R188 H + C2 H C2 H2 k0 = 1.26 1018 T 3.1 e(721/T ) Tsang and Hampson [1986]
k = 3.0 1010 Tsang and Hampson [1986]
M
R190 H + C2 H2 C2 H3 k0 = 3.3 1030 e(740/T ) Models A & B; Baulch et al.
k = 1.4 1011 e(1300/T ) [1994]
Fc = 0.44
k0 = 3.34 1026 T 1.46 e(1144/T ) Model C; based on Payne
k = 2.3 1011 e(1350/T ) and Stief [1976]
Fc = 0.6
R191 H + C2 H3 C2 H2 + H2 1.5 1012 T 0.5 Models A & B; data
compilation
k192, k192 [M] Model C; estimate
M 24 1
R192 H + C2 H3 C2 H4 k0 = 2.3 10 T Models A & B; based on Fahr
k = 1.8 1010 [1995] and Monks et al. [1995]
k0 = 1.75 1027 T 0.3 Model C; based on Klippenstein
k = 7.0 1011 T 0.18 and Harding [1999] and Monks et al. [1995]
et al. [1995]
R193 H + C2 H4 C2 H3 + H2 8.41 1017 T 1.93 e(6518/T ) Knyazev et al. [1996]
M
R194 H + C2 H4 C2 H5 k0 = 1.3 1029 e(380/T ) Models A & B; Baulch et al. [1994]
k0 = 3.7 1030 , T 302.4 K Estimate
k = 6.6 1015 T 1.28 e(650/T ) Baulch et al. [1994]
Fc = 0.24e(T /40) + 0.76e(T /1025) Baulch et al. [1994]
k0 = 1.68 1038 T 2.87 e(923/T ) Model C; based on Lightfoot
and Pilling [1987]
k = 6.6 1015 T 1.28 e(650/T ) Baulch et al. [1994]
2
TABLE S3 (cont.)
TABLE S3 (cont.)
TABLE S3 (cont.)
TABLE S3 (cont.)
M
R287 2 CH3 C2 H6 k0 = 3.51 107 T 7.03 e(1390/T ) for T > 300 K, based
on Slagle et al. [1988]
and Baulch et al. [1994]
k0 = 6.15 1018 T 3.5 for T 300K, Estimate
k = 1.12 109 T 0.5 e(25/T ) Data compilation; ts
Fc = 0.62e(T /1180) + 0.38e(T /73) fallo region data
of Walter et al. [1990]
M
R288 CH3 + C2 H CH3 C2 H k0 = 1.5 1018 T 3 e(300/T ) Estimate
k = 1.7 1010 Est., Fahr et al. [2001]
R289 CH3 + C2 H3 CH4 + C2 H2 3.0 1011 Based on Fahr et al. [1991],
R290 CH3 + C2 H3 C3 H5 + H 1.1 1010 k291 [M] Stoliarov et al. [2000],
M
R291 CH3 + C2 H3 C3 H6 k0 = 5.0 1027 Fahr et al. [1999], and
k = 1.1 1010 Thorn et al. [2000]
R292 CH3 + C2 H5 CH4 + C2 H4 2.0 1012 Baulch et al. [1992]
M
R293 CH3 + C2 H5 C3 H8 k0 = 7.5 1017 T 3 e(300/T ) Estimate
k = 6.64 1011 Sillesen et al. [1993]
R294 CH3 + C3 H2 C2 H2 + C2 H3 1.0 1011 Estimate, Models A & B
8.0 1011 Estimate, Model C
M
R295 CH3 + C3 H3 1C4 H6 k0 = 9.0 1019 T 3 e(300/T ) Estimate
k = 9.96 1012 Est. based on Wu and Kern [1987]
M
R296 CH3 + C3 H3 1, 2C4 H6 k0 = 6.0 1019 T 3 e(300/T ) Estimate
k = 6.64 1012 Est. based on Wu and Kern [1987]
R297 CH3 + C3 H5 CH4 + CH3 C2 H 2.0 1011 Estimate based on
R298 CH3 + C3 H5 CH4 + CH2 CCH2 2.0 1011 Garland and Bayes [1990] and
M
R299 CH3 + C3 H5 C4 H8 k0 = 3.7 1019 T 3 e(300/T ) Knyazev and Slagle [2001]
k = 9.5 1010 T 0.54 e(117/T )
k = 1.34 1013 e(3330/T ) Kinsman and Roscoe [1994]
R302 CH3 + C3 H7 CH4 + C3 H6 1.9 1011 T 0.3 Tsang [1988]
M
R303 CH3 + C3 H7 C4 H10 k0 = 7.07 1022 e(255/T ) , T 200 K Est. 0.01 Laufer et al. [1983]
k0 = 4.46 1026 e(2189/T ) , T > 200 KEst. 0.01 Laufer et al. [1983]
k = 3.2 1010 T 0.32 Tsang [1988]
R305 CH3 + C4 H5 CH4 + C4 H4 3.3 1011 Est. based on CH3 + C2 H3
M
R306 CH3 + C4 H5 prod k0 = 1.5 1017 T 3 e(300/T ) Estimate
k = 3.2 1010 T 0.32 Est. based on CH3 + C3 H7
R307 CH3 + C5 H3 C6 H5 + H 2.0 1011 Est. based on CH3 + C2 H3
R308 CH3 + C5 H3 C4 H4 + C2 H2 1.0 1011 Est. based on CH3 + C2 H3
R309 CH3 + C5 H3 2 C3 H3 4.0 1011 Est. based on CH3 + C2 H3
M
R310 CH3 + C5 H3 C6 H6 k0 = 1.5 1017 T 3 e(300/T ) Estimate
k = 3.2 1010 T 0.32 Est. based on CH3 + C3 H7
R311 C2 + H2 C2 H + H 1.77 1010 e(1469/T ) Pitts et al. [1982]
11 (297/T )
R312 C2 + CH4 C2 H + CH3 5.05 10 e Pitts et al. [1982]
R313 C2 H + H2 C2 H2 + H 9.2 1018 T 2.17 e(478/T ) Opansky and Leone [1996b]
R314 C2 H + CH4 C2 H2 + CH3 1.2 1011 e(491/T ) Opansky and Leone [1996a]
7
TABLE S3 (cont.)
TABLE S3 (cont.)
M
R351 2 C3 H3 lC6 H6 k0 = 2.812 1021 T 2 Based on Fahr and Nayak [2000]
k = 4.1 1011 and Atkinson and Hudgens [1999]
M
R352 2 C3 H3 C6 H6 k0 = 1.48 1022 T 2 Based on Fahr and Nayak [2000]
k = 6.0 1012 and Atkinson and Hudgens [1999]
R353 C3 H3 + C3 H5 2 CH3 C2 H 2.0 1011 Estimate
R355 C3 H7 + H2 C3 H8 + H 3.0 1021 T 2.84 e(4600/T ) Tsang [1988]
R356 C4 H + H2 C4 H2 + H 3.92 1019 T 2.57 e(130/T ) Est. based on C2 H + H2
R357 C4 H + CH4 C4 H2 + CH3 1.2 1011 e(491/T ) Est. based on C2 H + CH4
R358 C4 H + C2 H2 C6 H2 + H 2.5 1011 Brachhold et al. [1988]
R359 C4 H + C2 H6 C4 H2 + C2 H5 1.19 1012 T 0.54 e(180/T ) Est. based on C2 H + C2 H6
R363 C4 H2 C4 H2 1.0 103 Zwier and Allen [1996]
R364 C4 H2 + H2 C4 H2 + H2 1.4 1015 Zwier and Allen [1996]
R365 C4 H2 + CH4 C4 H2 + CH4 1.4 1015 Zwier and Allen [1996]
R366 C4 H2 + C2 H2 C6 H2 + H2 1.75 1013 Zwier and Allen [1996]
R367 C4 H2 + C2 H2 C6 H2 + 2 H 1.75 1013 Zwier and Allen [1996]
M
R381 C4 H3 + C2 H2 C6 H5 k0 = 3.0 1023 T 1 Estimate
k = 6.84 1018 T 1.646 e(1258/T ) Westmoreland et al. [1989]
R382 C4 H5 + H2 1C4 H6 + H 6.61 1015 T 0.5 e(1864/T ) Weissman and Benson [1988]
R383 C4 H5 + C2 H2 C6 H6 + H 2.86 1018 T 1.792 e(1127/T ) Westmoreland et al. [1989]
R384 C6 H + H2 C6 H2 + H 3.92 1019 T 2.57 e(130/T ) Est. based on C2 H + H2
R385 C6 H + CH4 C6 H2 + CH3 1.2 1011 e(491/T ) Est. based on C2 H + CH4
R387 C6 H + C2 H6 C6 H2 + C2 H5 3.5 1011 e(3/T ) Est. based on C2 H + C2 H6
R391 C6 H5 + H2 C6 H6 + H 9.48 1020 T 2.43 e(3159/T ) Mebel et al. [1997a]
R392 C6 H5 + CH4 C6 H6 + CH3 3.32 1012 e(4329/T ) Heckmann et al. [1996]
R393 C6 H5 + C2 H2 prod + H 3.72 1013 e(1560/T ) Yu et al. [1994]
R394 C6 H5 + C2 H4 prod + H 1.20 1012 e(2250/T ) Yu and Lin [1995]
R395 lC6 H6 C6 H6 1.0 103 Estimate
R396 lC6 H6 + H C6 H6 + H 1.44 107 T 1.34 e(1761/T ) Wang and Frenklach [1997]
M
R397 O+H OH k0 = 1.3 1029 T 1 Tsang and Hampson [1986]
R398 O + H2 OH + H 8.49 1020 T 2.67 e(3160/T ) Baulch et al. [1992]
R402 O + CH3 H2 CO + H 1.4 1010 Atkinson et al. [1992]
R405 O + C2 H2 CO + 3 CH2 1.5 1011 e(1600/T ) DeMore et al. [1987]
R406 O + C2 H2 HCCO + H 1.5 1011 e(1600/T ) DeMore et al. [1987]
R407 O + C2 H3 H2 CCO + H 1.25 1011 Est., Baulch et al. [1992]
R408 O + C2 H3 OH + C2 H2 1.25 1011 Est., Baulch et al. [1992]
R409 O + C2 H3 CO + CH3 1.25 1011 Est., Baulch et al. [1992]
R410 O + C2 H3 HCO + 3 CH2 1.25 1011 Est., Baulch et al. [1992]
R411 O + C2 H4 CH3 CO + H 2.0 1018 T 2.08 Baulch et al. [1992]
R412 O + C2 H4 HCO + CH3 3.45 1018 T 2.08 Baulch et al. [1992]
R413 O + C2 H4 H2 CO + 3 CH2 1.5 1019 T 2.08 Baulch et al. [1992]
R414 O + C2 H4 H2 CCO + H2 1.5 1019 T 2.08 Baulch et al. [1992]
R415 O + C2 H5 CH3 CHO + H 8.3 1011 Baulch et al. [1992]
R416 O + C2 H5 H2 CO + CH3 1.7 1011 Baulch et al. [1992]
9
TABLE S3 (cont.)
TABLE S3 (cont.)
Reaction numers listed in bold-face type have rate constants that dier from the Moses et al. [2000a, 2000b]
Saturn models. Only reactions with total stratospheric column rates greater than 1 cm2 s1 for Model A
are included in the table. a M represents any third body, prod represents higher-order products. b Two-body
rate constants and high-pressure limiting rate constants for three-body reactions (k ) are in units of cm3 s1 .
Low-pressure limiting rate constants for three-body reactions (k0 ) are in units of cm6 s1 .
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