Table A.1
Phosphorus-containing reactions added to the original BLACKWOLF photochemical reaction scheme from Wunderlich et al. (2020).
| Number | Reactions | Reaction Coefficients | References | Notes |
|---|---|---|---|---|
| R1 | PH3 + Cl → PH2 + HCl | 2.36 × 10−10 | (1) | |
| R2 | PH3 + N → PH2 + NH | 4.00 × 10−14 | (2) | |
| R3 | PH3 + O → PH2 + OH | 4.75 × 10−11 | (3) | |
| R4 | PH3 + NH2 → PH2 + NH3 | 1.50 × 10−12 · e−928.0/T | (4) | |
| R5 | PH3 + H → PH2 + H2 | 7.22 × 10−11 · e−886.0/T | (5) | |
| R6 | PH3 + OH → PH2 + H2O | 2.71 × 10−11 · e−155.0/T | (6) | |
| R7 | PH3 + M → PH2 + H + M | k0 = 3.4 × 10−8 · e−35644.0/T | (7) | |
| k∞ = 1.91 × 1018 · e−40063.0/T | ||||
| R8 | PH3 + hv → PH2 + H | see table notes | (8) | |
| R9 | PH2 + H + M → PH3 + M | 3.7 × 10−10 · e−340.0/T | (9) | |
| R10 | PH + H2 + M → PH3 + M | 3.00 × 10−36 · N | (9) | |
| R11 | PH2 + H → PH + H2 | 6.20 × 10−11 · e−318.0/T | (9) | |
| R12 | PH + H → P + H2 | 1.5 × 10−10 · e−416.0/T | (9) | |
| R13 | P + H + M → PH + M | 3.4 × 10−33 · e173.0/T· N | (9) | |
| R14 | H3PO4 + H → H2PO3 + H2O | 1.19 × 10−11 · (T/298.0)169 · e−19123.3/T | (10) | |
| R15 | H3PO4 + H + M → H4PO4 + M | 1.08 × 10−12 · (T/298.0)207 · e−10955.6/T | (10) | |
| R16 | H3PO4 + M → HPO3 + H2O + M | 8.6 × 1010 · (T/298.0)1.46 · e−21167.9/T | (10) | |
| R17 | H4PO4 + M → H2PO3 + H2O + M | 2.86 × 1011 · (T/298.0)091 · e−13590.8/T | (10) | |
| R18 | H2PO3 + H → HPO2 + H2O | 1.05 × 10−12 · e−6007.6/T | (11) | (+) |
| R19 | H2PO3 + O2 → HPO3 + HO2 | 1.87 × 10−16 · (T/298.0)24 · e−211.7/T | (10) | |
| R20 | HPO3 + H + M → H2PO3 + M | 4.18 × 10−12 · (T/298.0)158 · e−3115.1/T | (10) | |
| R21 | HPO3 + M → PO2 + OH + M | 2.01 × 1018 · (T/298.0)−248 · e−56407.7/T | (12) | (+) |
| R22 | HPO3 + H → PO2 + H2O | 1.05 × 10−12 · e−6007.6/T | (11) | (+) |
| R23 | PO2 + OH + M → HPO3 + M | 26.6 · T−2.3 · e−143.1/T | (11) | (+) |
| R24 | PO2 + H + M → HPO2 + M | 16.2 · T−2.0 · e−324.7/T | (11) | (+) |
| R25 | HPO2 + M → PO2 + H + M | 1.89 × 1022 · (T/298.0)−513 · e−48349.4/T | (12) | (+) |
| R26 | HPO2 + H → PO2 + H2 | 1.31 × 10−12 · e−21.6/T | (11) | (+) |
| R27 | PO + O2 → PO2 + O | 1.20 × 10−11 | (13) | |
| R28 | HPO2 + OH → PO2 + H2O | 5.25 × 10−13 | (11) | (+) |
| R29 | HPO2 + H → PO + H2O | 1.05 × 10−12 · e−6007.6/T | (11) | (+) |
| R30 | P + NO2 → PO + NO | 1.60 × 10−11 | (14) | |
| R31 | P + O2 → PO + O | 1.10 × 10−13 | (15) | |
| R32 | HPO3 + O → HPO2 + O2 | 1.03 × 10−12 · e−4147.0/T | (11) | (+) |
| R33 | PO2 + H → PO + OH | 4.0 × 10−10 · e−340.0/T | (16) | (*) |
| R34 | HPO + OH → PO + H2O | 8.0 × 10−11 · e−500.0/T | (17) | (*) |
| R35 | PO + H + M → HPO + M | k0 = 1.34 × 10−31 · (T/298.0)−132 · e−370.5/T | (17) | (*) |
| k∞ = 2.44 × 10−10 · (T/298.0)−041 | ||||
| R36 | PO + H2 → HPO + H | 2.31 × 10−11 · e−28384.2/T | (17) | (*) |
| R37 | PO + O → P + O2 | 8.93 × 10−13 · (T/298.0)10 · e−19484.1/T | (17) | (*) |
| R38 | PO + H → P + OH | 2.81 × 10−10 · e−24655.8/T | (17) | (*) |
| R39 | HPO + H → PO + H2 | 3.0 × 10−11 · e−500.0/T | (17) | (*) |
| R40 | HPO + M → PO + H + M | k0 = 5.48 × 10−7 · (T/298.0)−124 · e−25257.1/T | (17) | (*) |
| k∞ = 1.04 × 1015 · (T/298.0)−161 · e−24896.3/T | ||||
| R41 | PO + H → PH + O | 9.3 × 10−10 · (T/298.0)−01 · e−5239.8/T | (18) | (*) |
| R42 | HPO + H → PH2 + O | 1.05 × 10−9 · (T/298.0)−03 · e−14673.2/T | (18) | (*) |
| R43 | HPO + H → PH + OH | 2.41 × 10−9 · (T/298.0)−05 · e−9010.0/T | (18) | (*) |
| R44 | P + H2 → PH + H | 4.65 × 10−10 · e−16597.6/T | (19) | (*) |
| R45 | PH + OH → PH2 + O | 2.94 × 10−12 · (T/298.0)01 · e−5800.0/T | (18) | (*) |
| R46 | PH + H2 → PH2 + H | 3.5 × 10−11 · e−7757.6/T | (20) | (*) |
| R47 | H2PO3 + OH → HPO3 + H2O | 5.25 × 10−13 | (11) | (+) |
| R48 | H2PO3 + M → PO2 + H2O + M | 1.66 × 10−12 · e−15082.1/T · N | (11) | (+) |
| R49 | H2PO3 + OH + M → H3PO4 + M | 26.6 · T−2.3 · e−143.1/T | (11) | (+) |
| R50 | PO + OH + M → HPO2 + M | 1.98 × 10−4 · T−1.8 · e−700.0/T | (11) | (+) |
| R51 | HPO2 + O → PO2 + OH | 2.62 × 10−12 | (11) | (+) |
| R52 | PO + OH → PO2 + H | 1.05 × 10−13 · e−3000.8/T | (11) | (+) |
| R53 | PO + O + M → PO2 + M | 3.92 · T−2.1 · e−556.9/T | (11) | (+) |
| R54 | HPO2 + OH → HPO3 + H | 1.05 × 10−13 · e−4895.1/T | (11) | (+) |
| R55 | HPO2 + O + M → HPO3 + M | 13.2 · T−2.1 · e−501.5/T | (11) | (+) |
| R56 | HPO3 + PO → HPO2 + PO2 | 5.25 × 10−13 · e−4904.7/T | (11) | (+) |
| R57 | H3PO3 + OH → H2PO3 + H2O | 5.25 × 10−13 | (21) | (+) |
| R58 | H3PO3 + H → H2PO2 + H2O | 1.05 × 10−12 · e−6007.6/T | (22) | (+) |
| R59 | H3PO3 + M → HPO2 + H2O + M | 8.6 × 1010 · (T/298.0)146 · e−21167.9/T | (23) | (*) |
| R60 | H2PO2 + OH → HPO2 + H2O | 5.25 × 10−13 | (21) | (+) |
| R61 | H2PO2 + H → HPO + H2O | 1.05 × 10−12 · e−6007.6/T | (22) | (+) |
| R62 | H2PO2 + M → PO + H2O + M | 8.6 × 1010 · (T/298.0)1.46 · e−21167.9/T | (23) | (*) |
| R63 | HPO + O → PO + OH | 5.99 × 10−11 | (17) | (*) |
| R64 | HPO + OH → PO + H2O | 8.0 × 10−11 · e−500.3/T | (17) | (*) |
| R65 | PH + O2 → PO + OH | 6.74 × 10−14 · (T/298.0)0.79 · e−601.4/T | (24) | (*) |
| R66 | PH + O → PO + H | 1.16 × 10−10 | (18) | (*) |
| R67 | PH2 + O → HPO + H | 7.47 × 10−11 | (18) | (*) |
| R68 | PH2 + O2 → HPO + OH | 2.72 × 10−13 · (T/298.0)−0.39 · e−18161.1/T | (25) | (*) |
| R69 | PH2 + OH → HPO + H2 | 3.69 × 10−13 · (T/298.0)0.88 · e−9091.4/T | (26) | (*) |
| R70 | PH + O2 → HPO + O | 6.51 × 10−11 · e−9000.0/T | (27) | (*) |
| R71 | PH + OH → HPO + H | 3.32 × 10−11 | (18) | (*) |
| R72 | HPO2 + OH + M → H2PO3 + M | 1.98 × 10−4 · T−1.8 · e−700.0/T | (28) | (+) |
| R73 | HPO2 + H + M → H2PO2 + M | k0 = 1.34 × 10−31 · (T/298.0)−132 · e−370.5/T | (29) | (*) |
| k∞ = 2.44 × 10−10 · (T/298.0)−0.41 | ||||
| R74 | H2PO2 + OH + M → H3PO3 + M | 1.98 × 10−4 · T−1.8 · e−700.0/T | (28) | (+) |
| R75 | H2PO3 + H + M → H3PO3 + M | k0 = 1.34 × 10−31 · (T/298.0)−132 · e−370.5/T | (29) | (*) |
| k∞ = 2.44 × 10−10 · (T/298.0)−041 | ||||
| R76 | PO2 + M → PO + O + M | k0 = 1.88 × 10−4 · (T/298.0)−337 · e−37645.2/T | (17) | (*) |
| k∞ = 5.48 × 1015 · (T/298.0)−127 · e−37404.7/T | ||||
| R77 | PO2 + O → PO + O2 | 6.51 × 10−12 · e−120.0/T | (17) | (*) |
| R78 | PO + HCl → HPO + Cl | 2.62 × 10−11 · e−25257.2/T | (30) | (*) |
| R79 | HPO + CO → PH + CO2 | 3.32 × 10−12 · e−6190.4/T | (31) | (*) |
Notes. The asterisk indicates missing rate data where phosphorus atoms present in reactant species are analogously replaced with nitrogen atoms for which rate data are available. The plus indicates reactions for which the rate data is only available for temperatures higher than 750 K. Bimolecular reaction coefficients are shown in cm3 s−1 and termolecular reactions are given in cm6 s−1. The unit of temperature, T, is K, and the unit of the number density, N, is cm−3. Photolysis cross sections are taken from Chen et al. (1991) between 120 and 230 nm. The quantum yield is assumed to be unity.
References. (1) Iyer et al. (1983); (2) Hamilton & Murrells (1985); (3) Nava & Stief (1989); (4) Bosco et al. (1983); (5) Arthur & Cooper (1997); (6) Fritz et al. (1982); (7) Greaves et al. (2021a); (8) Chen et al. (1991); (9) Kaye & Strobel (1984); (10) Sullivan et al. (2004); (11) Bolshova & Korobeinichev (2006); (12) Haworth et al. (2002); (13) Sausa et al. (1986); (14) Clyne & Ono (1982); (15) Henshaw et al. (1987); (16) DeMore et al. (1985); (17) Tsang & Herron (1991); (18) Cohen & Westberg (1991); (19) Koshi et al. (1990); (20) Fontijn et al. (2006); (21) assumed same as R47; (22) assumed same as R18; (23) assumed same as R16; (24) Römming & Wagner (1996); (25) Bozzelli & Dean (1989); (26) Vahedpour et al. (2018); (27) Baulch et al. (1995); (28) assumed same as R50; (29) assumed same as R35; (30) Higashihara et al. (1978); (31) Röhrig & Wagner (1994)
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