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Table A.1
List of the reactions used in the model. Most of the references of the reaction coefficients are taken from Sander et al. (2011).
No. | Reaction | Reaction rate | References |
---|---|---|---|
1 | O2 + hν → O + O | Photolysis | Sander et al. (2011) |
2 | O3 + hν → O+O2 | Photolysis | Sander et al. (2011) |
3 | O + O2 + M → O3 + M | (6E-34) × (t/300)−2.4 | Sander et al. (2011) |
t ∈ [100; 268] K | |||
4 | O + O3 → O2 + O2 | (8E-12) × exp(−2060/t) | Sander et al. (2011) |
t ∈ [200;409] K | |||
5 | O + O + M → O2 + M | (4.23E-28)/(t2) | Schmidt et al. (2006) |
6 | O + O + M → O2(1∆) + M | (0.04) × (4.7E-33) × (300/t)2 | Makhlouf et al. (1998) |
7 | O + O + M → O2(1Σ) + M | (1.7E-37) | Young & Black (1966) |
8 | O(1D) + O3 → O2 + O2 | (1.2E-10) | Sander et al. (2011) |
t ∈ [103;393] K | |||
9 | O(1D) + O3 → O2 + O + O | (1.2E-10) | Sander et al. (2011) |
t ∈ [103;393] K | |||
10 | O(1D) + O2 → O + O2 | (3.2E-11) × exp(70/t) | Schmidt et al. (2006) |
11 | O(1D) + N2 → O + N2 | (1.8E-11) × exp(107/t) | Schmidt et al. (2006) |
12 | O(1D) + O → O + O | (2.5E-11) | Kalogerakis et al. (2006) |
13 | H + O3 → OH* + O2 | (1.4E-10) × exp(−470/t) | Sander et al. (2011) |
t ∈ [196; 424] K | |||
14 | OH + O → H + O2 | (1.8E-11) × exp(180/t) | Sander et al. (2011) |
t ∈ [136; 515] K | |||
15 | OH + O3 → HO2 + O2 | (1.7E-12) × exp(−940/t) | Sander et al. (2011) |
t ∈ [190; 357] K | |||
16 | OH + OH → H2O + O | (1.8E-12) | Sander et al. (2011) |
t ∈ [233; 580] K | |||
17 | OH + HO2 → H2O + O2 | (4.8E-11) × exp(250/t) | Sander et al. (2011) |
t ∈ [252; 420] K | |||
18 | H + HO2 → H2 + O2 | (6.9E-12) | Sander et al. (2011) |
t ∈ [245; 300] K | |||
19 | H + HO2 → 2OH | (7.2E-11) | Sander et al. (2011) |
t ∈ [245; 300] K | |||
20 | O + HO2 → OH + O2 | (3E-11) × exp(200/t) | Sander et al. (2011) |
t ∈ [229; 391] K | |||
21 | H + O2 + M → HO2 + M | k0 = (4.4E-32) × (t/300)−1.3 | Sander et al. (2011) |
k∞ = (7.5E-32) × (t/300)0.2 | Sander et al. (2011) | ||
t ∈ [298; 1500] K | |||
22 | H + OH + M → H2O + M | (2.5E-31) | Schott (1960) |
23 | H + H + M → H2 + M | (2E-32) × (273/t)0.81 | Trainor et al. (1973) |
24 | HO2 + HO2 → H2O2 + O2 | (3E-13) × exp(460/t) | Sander et al. (2011) |
t ∈ [222; 1120] K | |||
25 | OH + H2O2 → H2O + HO2 | (1.8E-12) | Sander et al. (2011) |
t ∈ [283; 386] K | |||
26 | O + H2O2 → OH + HO2 | (1.4E-12) × exp(−2000/t) | Sander et al. (2011) |
27 | O + H2O2 → O2 + H2O | (1.5E-13) × exp(−2000/t) | Gattinger & Vallance Jones (1973) |
28 | H + H2O2 → H2 + HO2 | (1E-13) | Gattinger & Vallance Jones (1973) |
29 | H + H2O2 → OH + H2O | (5E-12) × exp(−3000/t) × sqrt(t) | Gattinger & Vallance Jones (1973) |
30 | O(1D) + H2 → OH + H | (1.2E-10) | Sander et al. (2011) |
t ∈ [204; 420] K | |||
31 | O(1D) + H2O → OH + OH | (1.63E-10) | Sander et al. (2011) |
t ∈ [217; 453] K | |||
32 | O + OH + M → HO2 + M | (1.4E-31) | Thomas & Bowman (1972) |
33 | HO2 + O3 → OH + 2O2 | (1E-14) × exp(−490/t) | Sander et al. (2011) |
t ∈ [197; 413] K | |||
34 | H2O + hν → OH + H | Photolysis | Sander et al. (2011) |
35 | H2O2 + hν → 2OH | Photolysis | Sander et al. (2011) |
36 | HO2 + hν → OH + O | Photolysis | Sander et al. (2011) |
37 | H + O2 → OH + O | (3.4E-10) × exp(−8250/t) | Day et al. (1972) |
38 | H2 + OH → H2O + H | (2.8E-12) × exp(−1800/t) | Sander et al. (2011) |
t ∈ [200; 1050] K | |||
39 | H + OH → H2 + O | (2E-13) × exp(−3400/t) × sqrt(t) | Nicolet (1971) |
40 | H + O3 → HO2 + O | (1.5E-11) × exp(−2000/t) × sqrt(t) | Gattinger & Vallance Jones (1973) |
41 | H2 + O → OH + H | (1.66E-11) × exp(−4400/t) | Hochanadel et al. (1972) |
42 | O2(1∆) + O3 → 2O2 + O | (5.2E-11) × exp(−2840/t) | Sander et al. (2011) |
t ∈ [283; 360] K | |||
43 | O2(1Σ) + O3 → 2O2 + O | (3.5E-11) × exp(−135/t) | Sander et al. (2011) |
t ∈ [210; 310] K | |||
44 | O2(1∆) + O2 → O2 + O2 | (3.6E-18) × exp(−220/t) | Atkinson & Welge (1972) |
45 | O2(1∆) + N2 → O2 + N2 | (1E-20) | Becker et al. (1971) |
46 | O2(1∆) + O → O2 + O | (1.3E-16) | Atkinson & Welge (1972) |
47 | O2(1∆) + H2O → O2 + H2O | (4.8E-18) | Sander et al. (2011) |
48 | O2(1∆) + O2(1∆) → O2(1Σ) + O2 | (2.3E-18) | Izod & Wayne (1968) |
49 | O + HO2 → OH* + O2 | (3E-11) | Makhlouf et al. (1995) |
50 | OH* + M → OH + M | (5E-14) | Moreels et al. (1977) |
51 | OH* + O2 → OH + O2 | (4.4E-12) × Pν∆ν | Adler-Golden (1997) |
52 | OH* + N2 → OH + N2 | (1E-13) | Adler-Golden (1997) |
53 | O(1D) + O2 → O2(1∆) + O | (5E-13) | Moreels et al. (1977) |
54 | O(1D) + O2 → O2(1Σ) + O | (3E-11) | Noxon (1970) |
55 | OH* + O → H + O2 | (8E-12) | Moreels et al. (1977) |
56 | OH* + O → OH + O | (2E-11) | von Savigny et al. (2012) |
57 | O2(1Σ) + O2 → O2 + O2 | (1.5E-16) | Becker et al. (1971) |
58 | O2(1Σ) + N2 → O2 + N2 | (2.2E-15) | Becker et al. (1971) |
59 | O2(1Σ) + H2O → O2 + H2O | (5E-12) | Becker et al. (1971) |
60 | O + O + O → O(1S) + O2 | (4.8E-33) | Moreels et al. (1977) |
61 | O(1S) + O2 → O + O2 | (4.9E-12) × exp(−580/t) | Atkinson & Welge (1972) |
62 | O(1S) + N2 → O + N2 | (5E-17) | Atkinson & Welge (1972) |
63 | O(1S) + O → O + O | (7.5E-12) | Atkinson & Welge (1972) |
64 | O2(1Σ) → O2 + hν | (0.0758) | Chabrillat (2001) |
65 | O2(1∆) → O2 + hν(1.27 μm) | (2.58E-4) | Chabrillat (2001) |
66 | H + HO2 → H2O + O | (1.6E-12) | Sander et al. (2011) |
67 | 2OH + M → H2O2 + M | k0 = (6.9E-31)(t/300)−1 | Sander et al. (2011) |
k∞ = (2.6E-11) | Sander et al. (2011) | ||
68 | O + O2 + O → O3 + O | (2.15E-34) × exp(345/t) | Allen et al. (1984) |
69 | O(1S) → O + hν(297 nm) | (0.134) | Slanger et al. (2006) |
70 | O(1D) → O + hν(630 nm) | (6.478E-3) | Fischer & Tachiev (2004) |
71 | O(1D) → O + hν(636.4 nm) | (2.097E-3) | Fischer & Tachiev (2004) |
72 | O(1S) → O(1D) + hν(557.7 nm) | (1.26) | Wiese et al. (1996) |
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