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DOI	10.5194/acp-19-7691-2019
	Estimation of rate coefficients and branching ratios for reactions of organic peroxy radicals for use in automated mechanism construction
	Jenkin M.E.; Valorso R.; Aumont B.; Rickard A.R.
发表日期	2019
ISSN	16807316
起始页码	7691
结束页码	7717
卷号	19 期号:11
英文摘要	Organic peroxy radicals (RO2), formed from the degradation of hydrocarbons and other volatile organic compounds (VOCs), play a key role in tropospheric oxidation mechanisms. Several competing reactions may be available for a given RO2 radical, the relative rates of which depend on both the structure of RO2 and the ambient conditions. Published kinetics and branching ratio data are reviewed for the bimolecular reactions of RO2 with NO, NO2, NO3, OH and HO2; and for their self-reactions and cross-reactions with other RO2 radicals. This information is used to define generic rate coefficients and structure-activity relationship (SAR) methods that can be applied to the bimolecular reactions of a series of important classes of hydrocarbon and oxygenated RO2 radicals. Information for selected unimolecular isomerization reactions (i.e. H-atom shift and ring-closure reactions) is also summarized and discussed. The methods presented here are intended to guide the representation of RO2 radical chemistry in the next generation of explicit detailed chemical mechanisms. © Author(s) 2019.
语种	英语
scopus关键词	atmospheric chemistry; hydrocarbon; oxidation; peroxy radical; reaction kinetics; troposphere; 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/144348
作者单位	Atmospheric Chemistry Services, Okehampton, DevonEX204QB, United Kingdom; School of Chemistry, University of Bristol, Cantock's Close, Bristol, BS81TS, United Kingdom; LISA, CNRS, Université Paris-Est Créteil, Créteil, France; Wolfson Atmospheric Chemistry Laboratories, Department of Chemistry, University of York, York, YO105DD, United Kingdom; National Centre for Atmospheric Science, University of York, York, YO105DD, United Kingdom
推荐引用方式 GB/T 7714	Jenkin M.E.,Valorso R.,Aumont B.,et al. Estimation of rate coefficients and branching ratios for reactions of organic peroxy radicals for use in automated mechanism construction[J],2019,19(11).
APA	Jenkin M.E.,Valorso R.,Aumont B.,&Rickard A.R..(2019).Estimation of rate coefficients and branching ratios for reactions of organic peroxy radicals for use in automated mechanism construction.Atmospheric Chemistry and Physics,19(11).
MLA	Jenkin M.E.,et al."Estimation of rate coefficients and branching ratios for reactions of organic peroxy radicals for use in automated mechanism construction".Atmospheric Chemistry and Physics 19.11(2019).