Articles | Volume 23, issue 23
https://doi.org/10.5194/acp-23-15165-2023
https://doi.org/10.5194/acp-23-15165-2023
Research article
 | 
13 Dec 2023
Research article |  | 13 Dec 2023

Comprehensive multiphase chlorine chemistry in the box model CAABA/MECCA: implications for atmospheric oxidative capacity

Meghna Soni, Rolf Sander, Lokesh K. Sahu, Domenico Taraborrelli, Pengfei Liu, Ankit Patel, Imran A. Girach, Andrea Pozzer, Sachin S. Gunthe, and Narendra Ojha

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Cited articles

Atkinson, R., Baulch, D. L., Cox, R. A., Crowley, J. N., Hampson, R. F., Hynes, R. G., Jenkin, M. E., Rossi, M. J., Troe, J., and IUPAC Subcommittee: Evaluated kinetic and photochemical data for atmospheric chemistry: Volume II – gas phase reactions of organic species, Atmos. Chem. Phys., 6, 3625–4055, https://doi.org/10.5194/acp-6-3625-2006, 2006. a, b, c, d, e, f, g, h, i, j
Atkinson, R., Baulch, D. L., Cox, R. A., Crowley, J. N., Hampson, R. F., Hynes, R. G., Jenkin, M. E., Rossi, M. J., and Troe, J.: Evaluated kinetic and photochemical data for atmospheric chemistry: Volume III – gas phase reactions of inorganic halogens, Atmos. Chem. Phys., 7, 981–1191, https://doi.org/10.5194/acp-7-981-2007, 2007. a, b, c, d, e, f, g, h, i, j, k, l, m, n
Bannan, T. J., Booth, A. M., Bacak, A., Muller, J. B. A., Leather, K. E., Le Breton, M., Jones, B., Young, D., Coe, H., Allan, J., Visser, S., Slowik, J. G., Furger, M., Prévôt, A. S. H., Lee, J., Dunmore, R. E., Hopkins, J. R., Hamilton, J. F., Lewis, A. C., Whalley, L. K., Sharp, T., Stone, D., Heard, D. E., Fleming, Z. L., Leigh, R., Shallcross, D. E., and Percival, C. J.: The first UK measurements of nitryl chloride using a chemical ionization mass spectrometer in central London in the summer of 2012, and an investigation of the role of Cl atom oxidation, J. Geophys. Res.-Atmos., 120, 5638–5657, https://doi.org/10.1002/2014JD022629, 2015. a
Behnke, W., George, C., Scheer, V., and Zetzsch, C.: Production and decay of ClNO2 from the reaction of gaseous N2O5 with NaCl solution: Bulk and aerosol experiments, J. Geophys. Res., 102D, 3795–3804, https://doi.org/10.1029/96JD03057, 1997. a, b, c
Bertram, T. H. and Thornton, J. A.: Toward a general parameterization of N2O5 reactivity on aqueous particles: the competing effects of particle liquid water, nitrate and chloride, Atmos. Chem. Phys., 9, 8351–8363, https://doi.org/10.5194/acp-9-8351-2009, 2009. a, b
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The study presents the implementation of comprehensive multiphase chlorine chemistry in the box model CAABA/MECCA. Simulations for contrasting urban environments of Asia and Europe highlight the significant impacts of chlorine on atmospheric oxidation capacity and composition. Chemical processes governing the production and loss of chlorine-containing species has been discussed. The updated chemical mechanism will be useful to interpret field measurements and for future air quality studies.
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