气候变化领域集成服务门户(CCPortal): Formation of atmospheric molecular clusters of methanesulfonic acid–Diethylamine complex and its atmospheric significance

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DOI	10.1016/j.atmosenv.2020.117404
	Formation of atmospheric molecular clusters of methanesulfonic acid–Diethylamine complex and its atmospheric significance
	Xu C.-X.; Jiang S.; Liu Y.-R.; Feng Y.-J.; Wang Z.-H.; Huang T.; Zhao Y.; Li J.; Huang W.
发表日期	2020
ISSN	1352-2310
卷号	226
英文摘要	Field observations in a marine atmospheric environment imply the occurrence of significant concentrations of dimethylamine (DMA) and diethylamine (DEA) as well as methanesulfonic acid (MSA) in particulate formation. Among these particulates, studies on the interaction of MSA with DMA are well known; however, fundamental studies relating to the environmental impact of DEA on aerosol formation and its nucleation ability relative to the known ones are lacking. In this research, quantum chemical calculations and cluster kinetic modeling were used to analyze the aerosol formation potential of the reaction of DEA with MSA. Structural and thermodynamic evidence demonstrate a strong clustering stability in the processes of new particle formation (NPF). Driven by proton transfer, the clusters exhibit a low free-energy barrier distributed along the diagonal. The results of cluster kinetic analysis indicate that the aerosol formation potential of the MSA-DEA system at the parts per trillion (ppt) level is inferior to that of sulfuric acid (SA)–DMA, and slightly superior to that of SA–methylamine (MA) but far superior to that of MSA–DMA, implying a relatively strong nucleation capability for MSA-DEA system. This result implies that the MSA-DEA system plays a potentially significant role in NPF in the marine environment. © 2020
英文关键词	Diethylamine; Kinetic analysis; New particle formation; Nucleation capability; Proton transfer
语种	英语
scopus关键词	Aerosols; Chemical analysis; Crystallization; Environmental impact; Free energy; Kinetics; Nucleation; Organic acids; Proton transfer; Quantum chemistry; Atmospheric environment; Clustering stability; Diethylamines; Kinetic analysis; Methane sulfonic acid; New particle formation; Particulate formation; Quantum chemical calculations; Atmospheric chemistry; diethylamine; dimethylamine; mesylic acid; sulfuric acid; aerosol; aerosol formation; cluster analysis; kinetics; marine environment; molecular analysis; nucleation; aerosol; Article; atmosphere; environmental impact; evaporation; geometry; hydrogen bond; kinetics; molecular interaction; priority journal; proton transport; quantum chemistry; thermodynamics; vapor pressure
来源期刊	Atmospheric Environment
文献类型	期刊论文
条目标识符	http://gcip.llas.ac.cn/handle/2XKMVOVA/129584
作者单位	School of Information Science and Technology, University of Science and Technology of China, Hefei, Anhui 230026, China; Laboratory of Atmospheric Physico-Chemistry, Anhui Institute of Optics & Fine Mechanics, Chinese Academy of Sciences, Hefei, Anhui 230031, China; Center for Excellent in Urban Atmospheric Environment, Institute of Urban Environment, Chinese Academy of Sciences, Xiamen, Fujian 361021, China
推荐引用方式 GB/T 7714	Xu C.-X.,Jiang S.,Liu Y.-R.,等. Formation of atmospheric molecular clusters of methanesulfonic acid–Diethylamine complex and its atmospheric significance[J],2020,226.
APA	Xu C.-X..,Jiang S..,Liu Y.-R..,Feng Y.-J..,Wang Z.-H..,...&Huang W..(2020).Formation of atmospheric molecular clusters of methanesulfonic acid–Diethylamine complex and its atmospheric significance.Atmospheric Environment,226.
MLA	Xu C.-X.,et al."Formation of atmospheric molecular clusters of methanesulfonic acid–Diethylamine complex and its atmospheric significance".Atmospheric Environment 226(2020).