Open Access

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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