Articles | Volume 21, issue 24
https://doi.org/10.5194/acp-21-18351-2021
https://doi.org/10.5194/acp-21-18351-2021
Research article
 | 
17 Dec 2021
Research article |  | 17 Dec 2021

Development and evaluation of a new compact mechanism for aromatic oxidation in atmospheric models

Kelvin H. Bates, Daniel J. Jacob, Ke Li, Peter D. Ivatt, Mat J. Evans, Yingying Yan, and Jintai Lin

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Cited articles

Archer-Nicholls, S., Lowe, D., Utembe, S., Allan, J., Zaveri, R. A., Fast, J. D., Hodnebrog, Ø., Denier van der Gon, H., and McFiggans, G.: Gaseous chemistry and aerosol mechanism developments for version 3.5.1 of the online regional model, WRF-Chem, Geosci. Model Dev., 7, 2557–2579, https://doi.org/10.5194/gmd-7-2557-2014, 2014. a
Archer-Nicholls, S., Abraham, N. L., Shin, Y. M., Weber, J., Russo, M. R., Lowe, D., Utembe, S., O'Connor, F. M., Kerridge, B., Latter, B., Siddans, R., Jenkin, M., Wild, O., and Archibald, A. T.: The Common Representative Intermediates Mechanism version 2 in the United Kingdom Chemistry and Aerosols Model, Earth and Space Science Open Archive, 49 pp., https://doi.org/10.1002/essoar.10505092.1, 2020. a
Arey, J., Obermeyer, G., Aschmann, S. M., Chattopadhyay, S., Cusick, R. D., and Atkinson, R.: Dicarbonyl products of the OH radical-initiated reaction of a series of aromatic hydrocarbons, Environ. Sci. Technol., 43, 683–689, https://doi.org/10.1021/es8019098, 2009. 
Atkinson, R. and Aschmann, S. M.: Products of the gas-phase reactions of aromatic hydrocarbons: effect of NO2 concentration, Int. J. Chem. Kinet., 26, 929–944, https://doi.org/10.1002/kin.550260907, 1994. 
Atkinson, R., Carter, W. P. L., and Winer, A. M.: Effects of pressure on product yields in the NOx photooxidations of selected aromatic hydrocarbons, J. Phys. Chem., 87, 1605–1610, https://doi.org/10.1021/j100232a029, 1983. 
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Short summary
Simple aromatic compounds (benzene, toluene, xylene) have complex gas-phase chemistry that is inconsistently represented in atmospheric models. We compile recent experimental and theoretical insights to develop a new mechanism for gas-phase aromatic oxidation that is sufficiently compact for use in multiscale models. We compare our new mechanism to chamber experiments and other mechanisms, and implement it in a global model to quantify the impacts of aromatic oxidation on tropospheric chemistry.
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