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Home All issues Volume 699 (July 2025) A&A, 699 (2025) A362 Full HTML
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Table A.2

Chlorine photochemical scheme included in the MPCM

Label Reaction Reaction rate Reference
ph1 HCl + hν → H + Cl [1]
ph2 Cl2 + hν → Cl + Cl [2]
ph3 ClO + hν → Cl + O(1D) [2]
ph4 ClO + hν → Cl + O [2]
ph5 HOCl + hν → Cl + OH [2]
ph6 ClOO + hν → Cl + O2 [2]
ph7 OClO + hν → ClO + O [2]
h1 6 H2O + dust → Cl + 6 H2O 14×vth(H_2O)×γ1×0.0049×Sdust$\frac{1}{4}\times v_{\text{th}}(\text{H_2O})\times \gamma_1 \times 0.0049 \times S_{\text{dust}}$ [3] based on [4]
h2 2 HCl + dust → 2 H 14×vth(HCl)×γ2×0.04×Sdust$\frac{1}{4}\times v_{\text{th}}(\text{HCl})\times \gamma_2 \times 0.04 \times S_{\text{dust}}$ [3], based on [6] and [7]
h3 HCl + water ice → H + Cl or H 14×vth(HCl)×γ3×Sice$\frac{1}{4}\times v_{\text{th}}(\text{HCl})\times \gamma_3 \times S_{\text{ice}}$ [3] based on [8] and [9]
h4 Cl2 + dust → Ø 14×vth(Cl_2)×γ4×10−2×Sdust$\frac{1}{4}\times v_{\text{th}}(\text{Cl_2})\times \gamma_4 \times 10^{-2} \times S_{\text{dust}}$ [3] based on [2]
h5 ClO + water ice → O 14×vth(ClO)×γ5×Sice$\frac{1}{4}\times v_{\text{th}}(\text{ClO})\times \gamma_5 \times S_{\text{ice}}$ [3], based on [2] \\ \hline
cl1 Cl + O3 → ClO + O2 2.8×10−11exp⁡(−250T(z))2.8$\times 10^{-11} \, \exp{\left ( \frac{-250}{T(z)} \right )}$ [10]
cl2 ClO + O → Cl + O2 2.5×10−11exp⁡(110T(z))2.5$\times 10^{-11} \, \exp{\left ( \frac{110}{T(z)} \right )}$ [10]
cl3 ClO + ClO → Cl2 + O2 1.0×10−12exp⁡(−1590T(z))1.0$\times 10^{-12} \, \exp{\left ( \frac{-1590}{T(z)} \right )}$ [10]
cl4 ClO + ClO → 2 Cl + O2 3.0×10−11exp⁡(−2450T(z))3.0$\times 10^{-11} \, \exp{\left ( \frac{-2450}{T(z)} \right )}$ [10]
cl5 ClO + ClO → Cl + OClO 3.5×10−13exp⁡(−1370T(z))3.5$\times 10^{-13} \, \exp{\left ( \frac{-1370}{T(z)} \right )}$ [10]
cl6 ClO + ClO + M → Cl2O2 + M k0=1.9×10−32(298T(z))3.6k∞=3.7×10−12(298T(z))1.6\begin{tabular}[c]{@{}l@{}}$k_0 = 1.9\times 10^{-32} \, \left ( \frac{298}{T(z)} \right )^{3.6}$\\ $k_{\infty} = 3.7\times 10^{-12} \, \left ( \frac{298}{T(z)} \right )^{1.6}$\end{tabular} [10]
cl7 Cl2O2 → ClO + ClO cl62.16×10−27exp⁡(8537T(z))$\frac{\text{cl6}}{2.16\times 10^{-27} \, \exp{\left ( \frac{8537}{T(z)} \right )}}$ [10]
cl8 Cl + H2 → HCl + H 3.9×10−11exp⁡(−2310T(z))3.9$\times 10^{-11} \, \exp{\left ( \frac{-2310}{T(z)} \right )}$ [10]
cl9 Cl + HO2 → HCl + O2 4.4×10−11−7.5×10−11exp⁡(−620T(z))4.4$\times 10^{-11}$ - 7.5$\times 10^{-11} \, \exp{\left ( \frac{-620}{T(z)} \right )}$ [10]
cl10 Cl + HO2 → ClO + OH 7.5×10−11exp⁡(−620T(z))7.5$\times 10^{-11} \, \exp{\left ( \frac{-620}{T(z)} \right )}$ [10]
cl11 Cl + H2O2 → HCl + HO2 1.1×10−11exp⁡(−980T(z))1.1$\times 10^{-11} \, \exp{\left ( \frac{-980}{T(z)} \right )}$ [10]
cl12 ClO + OH → Cl + HO2 7.3×10−12exp⁡(300T(z))×0.947.3$\times 10^{-12} \, \exp{\left ( \frac{300}{T(z)} \right )} \times 0.94$ [10]
cl13 ClO + OH → HCl + O2 7.3×10−12exp⁡(300T(z))×0.067.3$\times 10^{-12} \, \exp{\left ( \frac{300}{T(z)} \right )} \times 0.06$ [10]
cl14 ClO + HO2 → HOCl + O2 2.2×10−12exp⁡(340T(z))2.2$\times 10^{-12} \, \exp{\left ( \frac{340}{T(z)} \right )}$ [10]
cl15 HCl + OH → Cl + H2O 1.7×10−12exp⁡(−230T(z))1.7$\times 10^{-12} \, \exp{\left ( \frac{-230}{T(z)} \right )}$ [10]
cl16 HOCl + OH → ClO + H2O 3.0×10−12exp⁡(−500T(z))3.0$\times 10^{-12} \, \exp{\left ( \frac{-500}{T(z)} \right )}$ [10]
cl17 CO + Cl + M → ClCO + M 2.5[M]1.3×10−33(300T(z))3.82.5\, {[}M{]} \, 1.3$\times 10^{-33} \, \left ( \frac{300}{T(z)} \right )^{3.8}$ [11]
cl18 ClOO + Cl → ClO + ClO 1.2×10−111.2$\times 10^{-11}$ [2]
cl19 ClOO + Cl → O2 + Cl2 2.3×10−102.3$\times 10^{-10}$ [2]
cl20 ClOO + M → Cl + O2 + M 2.8×10−10exp⁡(−1820T(z))[M]]2.8$\times 10^{-10} \, \exp{\left ( \frac{-1820}{T(z)} \right )}$ \, {[}M{]} [11]
cl21 HClO4 + OH → ClO4 + H2O 2.8×10−10T(z)2.99exp⁡(1664T(z))$\frac{2.8\times 10^{-10}}{T(z)^{2.99}} \, \exp{\left ( \frac{1664}{T(z)} \right )}$ [12]
cl22 Cl + O2 + M → ClOO + M 2.5[M]1.4×10−33(300T(z))3.92.5\, {[}M{]} \, 1.4$\times 10^{-33} \, \left ( \frac{300}{T(z)} \right )^{3.9}$ [11]
cl23 Cl + Cl2O2 → Cl2 + ClOO 1.0×10−101.0$\times 10^{-10}$ [11]
cl24 ClCO → CO + Cl [M]4.1×10−10exp⁡(−2960T(z)){[}M{]} \, 4.1$\times 10^{-10} \, \exp{\left ( \frac{-2960}{T(z)} \right )}$ [11]
cl25 Cl2 + O($^1$D) → Cl2 + O [Cl2]14×2.7×10−10{[}Cl$_2${]} \, $\frac{1}{4} \times 2.7\times 10^{-10}$ [2]
cl26 Cl2 + O($^1$D) → Cl + ClO 34×2.7×10−10$\frac{3}{4} \times 2.7\times 10^{-10}$ [2]
cl27 Cl2 + OH → HOCl + Cl 2.6×10−12exp⁡(−1100T(z))2.6$\times 10^{-12} \, \exp{\left ( \frac{-1100}{T(z)} \right )}$ [2]
cl28 Cl2 + H → HCl + Cl 8.0×10−11exp⁡(−416T(z))8.0$\times 10^{-11} \, \exp{\left ( \frac{-416}{T(z)} \right )}$ [13]
cl29 HCl + O(1D) → HCl + O 0.12×1.5×10−10[HCl]]0.12 $\times 1.5\times 10^{-10}$ \, {[}HCl{]} [2]
cl30 HCl + O(1D) → ClO + H 0.22×1.5×10−100.22 $\times 1.5\times 10^{-10}$ [2]
cl31 HCl + O(1D) → Cl + OH 0.66×1.5×10−100.66 $\times 1.5\times 10^{-10}$ [2]
cl32 HCl + O → OH + Cl 1.0×10−11exp⁡(−3300T(z))1.0$\times 10^{-11} \, \exp{\left ( \frac{-3300}{T(z)} \right )}$ [2]
cl33 HCl + H → H2 + Cl 1.49×10−11exp⁡(−1763T(z))1.49$\times 10^{-11} \, \exp{\left ( \frac{-1763}{T(z)} \right )}$ [14]
cl34 HOCl + O → ClO + OH 1.7×10−131.7$\times 10^{-13}$ [11]
cl35 Cl + O3 + M → ClO3 + M 2.5[M]×1.0×10−312.5 \, {[}M{]} \, $\times 1.0\times 10^{-31}$ [15], based on [16]
cl36 ClO + ClO3 → ClOO + OClO 1.85×10−18exp⁡(−2417T(z))T(z)2.281.85$\times 10^{-18} \, \exp{\left ( \frac{-2417}{T(z)} \right )} \, T(z)^{2.28}$ [15], based on [17]
cl37 ClO + ClO3 → OClO + OClO 1.42×10−18exp⁡(−2870T(z))T(z)2.111.42$\times 10^{-18} \, \exp{\left ( \frac{-2870}{T(z)} \right )} \, T(z)^{2.11}$ [15], based on [17]
cl38 ClO + ClO3 + M → Cl2O4 + M k0=1.43×10−1T(z)10.19exp⁡(−1597T(z))k∞=1.43×10−10exp⁡(−82T(z))T(z)0.094\begin{tabular}[c]{@{}l@{}}$k_0 = \frac{1.43\times 10^{-1}}{T(z)^{10.19}} \, \exp{\left ( \frac{-1597}{T(z)} \right )}$\\ $k_{\infty} = 1.43\times 10^{-10} \, \exp{\left ( \frac{-82}{T(z)} \right )} \, T(z)^{0.094}$\end{tabular} [17]
cl39 ClO3 + OH → HClO4 6.67×10−136.67$\times 10^{-13}$ [15], based on [16]
cl40 ClO3 + OH + M → HClO4 + M k0=1.94×1036T(z)15.3exp⁡(−5542T(z))k∞=3.2×10−10exp⁡(−25T(z))T(z)0.07\begin{tabular}[c]{@{}l@{}}$k_0 = \frac{1.94\times 10^{36}}{T(z)^{15.3}} \, \exp{\left ( \frac{-5542}{T(z)} \right )}$\\ $k_{\infty} = 3.2\times 10^{-10} \, \exp{\left ( \frac{-25}{T(z)} \right )} \, T(z)^{0.07}$\end{tabular} [15], based on [18]
cl41 ClO3 + OH → OClO + HO2 2.1×10−10exp⁡(−18T(z))T(z)0.092.1$\times 10^{-10} \, \exp{\left ( \frac{-18}{T(z)} \right )} \, T(z)^{0.09}$ [15], based on [18]
cl42 OClO + O + M → ClO3 + M k0=3.0×10−31(298T(z))3.1k∞=8.3×10−12(298T(z))\begin{tabular}[c]{@{}l@{}}$k_0 = 3.0\times 10^{-31} \, \left ( \frac{298}{T(z)} \right )^{3.1}$\\ $k_{\infty} = 8.3\times 10^{-12} \, \left ( \frac{298}{T(z)} \right )$\end{tabular} [2]
cl43 OClO + O3 → ClO3 + O2 2.1×10−12exp⁡(−4700T(z))2.1$\times 10^{-12} \, \exp{\left ( \frac{-4700}{T(z)} \right )}$ [2]
cl44 ClO4 + Cl → ClO3 + ClO 8.05×10−11T(z)0.158exp⁡(−49T(z))8.05$\times 10^{-11} \, T(z)^{0.158} \exp{\left ( \frac{-49}{T(z)} \right )}$ [17]
cl45 ClO4 + HOCl → ClO + HClO4 1.35×10−18T(z)1.73exp⁡(1017T(z))1.35$\times 10^{-18} \, T(z)^{1.73} \exp{\left ( \frac{1017}{T(z)} \right )}$ [19]
cl46 HOCl+ Cl → Cl2 + OH 0.935×3.4×10−12exp⁡(−130T(z))0.935$\times 3.4\times 10^{-12} \, \exp{\left ( \frac{-130}{T(z)} \right )}$ [2] and [15]
cl47 HOCl+ Cl → HCl + ClO 0.065×3.4×10−12exp⁡(−130T(z))0.065$\times 3.4\times 10^{-12} \, \exp{\left ( \frac{-130}{T(z)} \right )}$ [2] and [15]
cl48 OClO+ O → ClO + O2 2.4×10−12exp⁡(−960T(z))2.4$\times 10^{-12} \, \exp{\left ( \frac{-960}{T(z)} \right )}$ [11]
cl49 OClO+ OH → HOCl + O2 1.4×10−12exp⁡(600T(z))1.4$\times 10^{-12} \, \exp{\left ( \frac{600}{T(z)} \right )}$ [2]
cl50 OClO+ Cl → ClO + ClO 3.4×10−11exp⁡(160T(z))3.4$\times 10^{-11} \, \exp{\left ( \frac{160}{T(z)} \right )}$ [2]

Notes. Values between brackets are number densities in cm−3. [M] is the number density of the third body for three-body reactions. Sdust and Sice are the surface area of dust and water ice, respectively, in cm−1.

vth(species) is the thermal speed of the considered species in cm/s, computed as vth(z)=8RT(z)πM$v_{\text{th}}(z)=\sqrt{\frac{8RT(z)}{\pi M}}$, with R the ideal gas constant, T(z) the temperature at altitude level z and M the molar mass of the considered species in g/mol.

[1] - Heays et al. (2017), [2] - Burkholder et al. (2019), [3] - Taysum et al. (2024), [4] - Keller et al. (2006), [5] - Boynton et al. (2009), [6] - Huynh & McNeill (2020), [7] - Huynh & McNeill (2021), [8] - Hynes et al. (2001), [9] - Kippenberger et al. (2019), [10] - Sander et al. (2019), [11] -Atkinson et al. (2007), [12] - Zhu & Lin (2010), [13] - Berho et al. (1999), [14] - Neufeld & Wolfire (2009), from the KIDA database (Wakelam et al. 2012), [15] - Catling et al. (2010), [16] - Simonaitis & Heicklen (1975), [17] - Xu & Lin (2003), [18] - Zhu & Lin (2001), [19] - Xu & Lin (2010)

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