Articles | Volume 18, issue 13
https://doi.org/10.5194/acp-18-9297-2018
https://doi.org/10.5194/acp-18-9297-2018
Research article
 | 
04 Jul 2018
Research article |  | 04 Jul 2018

Estimation of rate coefficients and branching ratios for gas-phase reactions of OH with aliphatic 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

Andreae, M. O. and Crutzen, P. J.: Atmospheric aerosols: biogeochemical sources and role in atmospheric chemistry, Science, 276, 1052–1058, 1997.
Aschmann, S. M. and Atkinson, R.: Rate constants for the gas-phase reactions of OH radicals with E-7-tetradecene, 2-methyl-1-tridecene and the C7–C14 1-alkenes at 295 ± 2 K, Phys. Chem. Chem. Phys., 10, 4159–4164, 2008.
Aschmann, S. M., Tuazon, E. C., Arey, J., and Atkinson, R.: Products and mechanisms of the gas-phase reactions of OH radicals with 1-octene and 7-tetradecene in the presence of NO, Environ. Sci. Technol., 44, 3825–3831, 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.
Atkinson, R.: A structure-activity relationship for the estimation of rate constants for the gas-phase reactions of OH radicals with organic compounds, Int. J. Chem. Kinetics., 19, 799–828, 1987.
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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