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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 +  → O + O Photolysis Sander et al. (2011)
2 O3 +  → 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 +  → OH + H Photolysis Sander et al. (2011)
35 H2O2 +  → 2OH Photolysis Sander et al. (2011)
36 HO2 +  → 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) × 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 +  (0.0758) Chabrillat (2001)
65 O2(1∆) → O2 + (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 + (297 nm) (0.134) Slanger et al. (2006)
70 O(1D) → O + (630 nm) (6.478E-3) Fischer & Tachiev (2004)
71 O(1D) → O + (636.4 nm) (2.097E-3) Fischer & Tachiev (2004)
72 O(1S) → O(1D) + (557.7 nm) (1.26) Wiese et al. (1996)

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