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DOI	10.5194/acp-22-14783-2022
	Evaluation of isoprene nitrate chemistry in detailed chemical mechanisms
	Mayhew, Alfred W.; Lee, Ben H.; Thornton, Joel A.; Bannan, Thomas J.; Brean, James; Hopkins, James R.; Lee, James D.; Nelson, Beth S.; Percival, Carl; Rickard, Andrew R.; Shaw, Marvin D.; Edwards, Peter M.; Hamilton, Jaqueline F.
发表日期	2022
ISSN	1680-7316
EISSN	1680-7324
起始页码	14783
结束页码	14798
卷号	22 期号:22 页码:16
英文摘要	Isoprene nitrates are important chemical species in the atmosphere which contribute to the chemical cycles that form ozone and secondary organic aerosol (SOA) with implications for climate and air quality. Accurate chemical mechanisms are important for the prediction of the atmospheric chemistry of species such as isoprene nitrates in chemical models. In recent years, studies into the chemistry of isoprene nitrates have resulted in the development of a range of mechanisms available for use in the simulation of atmospheric isoprene oxidation. This work uses a 0-D chemical box model to assess the ability of three chemically detailed mechanisms to predict the observed diurnal profiles of four groups of isoprene-derived nitrates in the summertime in the Chinese megacity of Beijing. An analysis of modelled C5H9NO5 isomers, including isoprene hydroperoxy nitrate (IPN) species, highlights the significant contribution of non-IPN species to the C(5)H(9)NO(5)measurement, including the potentially large contribution of nitrooxy hydroxyepoxide (INHE). The changing isomer distribution of isoprene hydroxy nitrates (IHNs) derived from OH-initiated and NO3-initiated chemistry is discussed, as is the importance of up-to-date alkoxy radical chemistry for the accurate prediction of isoprene carbonyl nitrate (ICN) formation. All mechanisms under-predicted C4H7NO5 as predominately formed from the major isoprene oxidation products, methyl vinyl ketone (MVK) and methacrolein (MACR). This work explores the current capability of existing chemical mechanisms to accurately represent isoprene nitrate chemistry in urban areas significantly impacted by anthropogenic and biogenic chemical interactions. It suggests considerations to be taken when investigating isoprene nitrates in ambient scenarios, investigates the potential impact of varying isomer distributions on iodide chemical ionisation mass spectrometry (I--CIMS) calibrations, and makes some proposals for the future development of isoprene mechanisms.
学科领域	Environmental Sciences; Meteorology & Atmospheric Sciences
语种	英语
WOS研究方向	Environmental Sciences & Ecology ; Meteorology & Atmospheric Sciences
WOS记录号	WOS:000889097600001
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/273416
作者单位	University of York - UK; University of Washington; University of Washington Seattle; University of Manchester; University of Birmingham; UK Research & Innovation (UKRI); Natural Environment Research Council (NERC); NERC National Centre for Atmospheric Science; University of York - UK
推荐引用方式 GB/T 7714	Mayhew, Alfred W.,Lee, Ben H.,Thornton, Joel A.,et al. Evaluation of isoprene nitrate chemistry in detailed chemical mechanisms[J],2022,22(22):16.
APA	Mayhew, Alfred W..,Lee, Ben H..,Thornton, Joel A..,Bannan, Thomas J..,Brean, James.,...&Hamilton, Jaqueline F..(2022).Evaluation of isoprene nitrate chemistry in detailed chemical mechanisms.ATMOSPHERIC CHEMISTRY AND PHYSICS,22(22),16.
MLA	Mayhew, Alfred W.,et al."Evaluation of isoprene nitrate chemistry in detailed chemical mechanisms".ATMOSPHERIC CHEMISTRY AND PHYSICS 22.22(2022):16.