Articles | Volume 18, issue 13
https://doi.org/10.5194/acp-18-9329-2018
https://doi.org/10.5194/acp-18-9329-2018
Research article
 | 
04 Jul 2018
Research article |  | 04 Jul 2018

Estimation of rate coefficients and branching ratios for gas-phase reactions of OH with aromatic organic compounds for use in automated mechanism construction

Michael E. Jenkin, Richard Valorso, Bernard Aumont, Andrew R. Rickard, and Timothy J. Wallington

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Cited articles

Alarcón, P., Bohn, B., Zetzsch, C., Rayez, M.-T., and Rayez, J.-C.: Reversible addition of the OH radical to p-cymene in the gas phase: multiple adduct formation. Part 2, Phys. Chem. Chem. Phys., 16, 17315–17326, 2014.
Andreae, M. O. and Crutzen, P. J.: Atmospheric aerosols: biogeochemical sources and role in atmospheric chemistry, Science, 276, 1052–1058, 1997.
Aschmann, S. M., Arey, J., and Atkinson, R.: Extent of H-atom abstraction from OH + p-cymene and upper limits to the formation of cresols from OH +  m-xylene and OH + p-cymene, Atmos. Environ., 44, 3970–3975, 2010.
Aschmann, S. M., Arey, J., and Atkinson, R.: Formation of p-cymene from OH +γ-terpinene: H-atom abstraction from the cyclohexadiene ring structure, Atmos. Environ., 45, 4408–4411, 2011.
Aschmann, S. M., Arey, J., and Atkinson, R.: Rate constants for the reactions of OH radicals with 1,2,4,5-tetramethylbenzene, pentamethylbenzene, 2,4,5-trimethylbenzaldehyde, 2,4,5-trimethylphenol, and 3-methyl-3-hexene-2,5-dione and products of OH + 1,2,4,5-tetramethylbenzene, J. Phys. Chem. A, 117, 2556–2568, 2013.
Short summary
Organic compounds are emitted in large quantities from natural and human-influenced sources. Removal from the atmosphere occurs mainly by reaction with hydroxyl (OH) radicals, and initiates reaction sequences forming pollutants such as ozone and organic particles. Due to their very large number, it is impossible to measure the removal rate for all compounds, and most have to be estimated. An updated and extended estimation method is reported for use in atmospheric models and impact assessments.
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