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DOI	10.5194/acp-20-9725-2020
	Rate coefficients for reactions of OH with aromatic and aliphatic volatile organic compounds determined by the multivariate relative rate technique
	Shaw J.T.; Rickard A.R.; Newland M.J.; Dillon T.J.
发表日期	2020
ISSN	1680-7316
起始页码	9725
结束页码	9736
卷号	20 期号:16
英文摘要	The multivariate relative rate method was applied to a range of volatile organic compound (VOC) reactions with OH. This previously published method (Shaw et al., 2018) was improved to increase the sensitivity towards more slowly reacting VOCs, broadening the range of compounds which can be examined. A total of 35 room temperature relative rate coefficients were determined, eight of which have not previously been reported. Five of the new reaction rate coefficients were for large alkyl substituted mono-aromatic species recently identified in urban air masses, likely with large ozone production potentials. The new results (with OH (296K) values in units of 10-12cm3molec.-1s-1) were n-butylbenzene, 11 (±4); n-pentylbenzene, 7 (±2); 1,2-diethylbenzene, 14 (±4); 1,3-diethylbenzene, 22 (±4); and 1,4-diethylbenzene, 16 (±4). Interestingly, whilst results for smaller VOCs agreed well with available structure-activity relationship (SAR) calculations, the larger alkyl benzenes were found to be less reactive than the SAR prediction, indicating that our understanding of the oxidation chemistry of these compounds is still limited. OH (296K) rate coefficients (in units of 10-12cm3molec.-1s-1) for reactions of three large alkanes with OH were also determined for the first time: 2-methylheptane, 9.1 (±0.3); 2-methylnonane, 11.0 (±0.3); and ethylcyclohexane, 14.4 (±0.3), all in reasonable agreement with SAR predictions. Rate coefficients for the 27 previously studied OH+VOC reactions agreed well with available literature values, lending confidence to the application of this method for the rapid and efficient simultaneous study of gas-phase reaction kinetics. © 2020 BMJ Publishing Group. All rights reserved.
语种	英语
scopus关键词	air mass; atmospheric chemistry; hydroxide; multivariate analysis; oxidation; ozone; reaction kinetics; reaction rate; urban atmosphere; volatile organic compound
来源期刊	Atmospheric Chemistry and Physics
文献类型	期刊论文
条目标识符	http://gcip.llas.ac.cn/handle/2XKMVOVA/141150
作者单位	Wolfson Atmospheric Chemistry Laboratories, Department of Chemistry, University of York, York, Heslington, YO10 5DD, United Kingdom; National Centre for Atmospheric Science, University of York, Heslington, York, YO10 5DD, United Kingdom; Department of Earth and Environmental Science, University of Manchester, Manchester, M13 9PL, United Kingdom
推荐引用方式 GB/T 7714	Shaw J.T.,Rickard A.R.,Newland M.J.,et al. Rate coefficients for reactions of OH with aromatic and aliphatic volatile organic compounds determined by the multivariate relative rate technique[J],2020,20(16).
APA	Shaw J.T.,Rickard A.R.,Newland M.J.,&Dillon T.J..(2020).Rate coefficients for reactions of OH with aromatic and aliphatic volatile organic compounds determined by the multivariate relative rate technique.Atmospheric Chemistry and Physics,20(16).
MLA	Shaw J.T.,et al."Rate coefficients for reactions of OH with aromatic and aliphatic volatile organic compounds determined by the multivariate relative rate technique".Atmospheric Chemistry and Physics 20.16(2020).