气候变化领域集成服务门户(CCPortal): Oxygenated products formed from OH-initiated reactions of trimethylbenzene: Autoxidation and accretion

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DOI	10.5194/acp-20-9563-2020
	Oxygenated products formed from OH-initiated reactions of trimethylbenzene: Autoxidation and accretion
	Wang Y.; Mehra A.; Krechmer J.E.; Yang G.; Hu X.; Lu Y.; Lambe A.; Canagaratna M.; Chen J.; Worsnop D.; Coe H.; Wang L.
发表日期	2020
ISSN	1680-7316
起始页码	9563
结束页码	9579
卷号	20 期号:15
英文摘要	Gas-phase oxidation pathways and products of anthropogenic volatile organic compounds (VOCs), mainly aromatics, are the subject of intensive research, with attention paid to their contributions to secondary organic aerosol (SOA) formation and potentially new particle formation (NPF) in the urban atmosphere. In this study, a series of OHinitiated oxidation experiments of trimethylbenzene (TMB, C9H12) including 1,2,4-TMB, 1,3,5-TMB, 1,2,3-TMB, and 1,2,4-(methyl-D3)-TMBs (C9H9D3) were investigated in an oxidation flow reactor (OFR) in the absence and presence of NOx. Products were measured using a suite of state-ofthe-art instruments, i.e. a nitrate-based chemical ionization-atmospheric pressure interface time-of-flight mass spectrometer (nitrate CI-APi-TOF), an iodide-adduct chemical ionization time-of-flight mass spectrometer (iodide CI-TOF) equipped with a Filter Inlet for Gases and AEROsols (FIGAERO), and a Vocus proton-transfer-reaction mass spectrometer (Vocus PTR). A large number of C9 products with 1-11 oxygen atoms and C18 products presumably formed from dimerization of C9 peroxy radicals were observed, hinting at the extensive existence of autoxidation and accretion reaction pathways in the OH-initiated oxidation reactions of TMBs. Oxidation products of 1,2,4-(methyl-D3)-TMBs with deuterium atoms in different methyl substituents were then used as a molecular basis to propose potential autoxidation reaction pathways. Accretion of C9 peroxy radicals is the most significant for aromatics with meta-substituents and the least for aromatics with ortho-substituents if the number and size of substituted groups are identical. The presence of NOx would suppress the formation of highly oxygenated molecules (HOMs) of C18 and enhance the formation of organonitrates and even dinitrate organic compounds. Our results show that the oxidation products of TMB are much more diverse and could be more oxygenated than the current mechanisms predict. © 2020 Author(s).
语种	英语
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/141158
作者单位	Shanghai Key Laboratory of Atmospheric Particle Pollution and Prevention (LAP3), Department of Environmental Science and Engineering, Jiangwan Campus, Fudan University, Shanghai, 200438, China; Centre for Atmospheric Science, School of Earth and Environment Sciences, University of Manchester, Manchester, M13 9PL, United Kingdom; Center for Aerosol and Cloud Chemistry, Aerodyne Research Inc., Billerica, MA, United States; Collaborative Innovation Center of Climate Change, Nanjing, 210023, China; Shanghai Institute of Pollution Control and Ecological Security, Shanghai, 200092, China
推荐引用方式 GB/T 7714	Wang Y.,Mehra A.,Krechmer J.E.,et al. Oxygenated products formed from OH-initiated reactions of trimethylbenzene: Autoxidation and accretion[J],2020,20(15).
APA	Wang Y..,Mehra A..,Krechmer J.E..,Yang G..,Hu X..,...&Wang L..(2020).Oxygenated products formed from OH-initiated reactions of trimethylbenzene: Autoxidation and accretion.Atmospheric Chemistry and Physics,20(15).
MLA	Wang Y.,et al."Oxygenated products formed from OH-initiated reactions of trimethylbenzene: Autoxidation and accretion".Atmospheric Chemistry and Physics 20.15(2020).