Formation of atmospheric molecular clusters of methanesulfonic acid-Diethylamine complex and its atmospheric significance

doi:10.1016/j.atmosenv.2020.117404

	Formation of atmospheric molecular clusters of methanesulfonic acid-Diethylamine complex and its atmospheric significance
	Xu, Cai-Xin 1; Jiang, Shuai 1; Liu, Yi-Rong 1; Feng, Ya-Juan 1; Wang, Zi-Hang 1; Huang, Teng 2; Zhao, Yu 1; Li, Jie 1; Huang, Wei 1,2,3
刊名	ATMOSPHERIC ENVIRONMENT
	2020-04-01
卷号	226
关键词	New particle formation Diethylamine Kinetic analysis Proton transfer Nucleation capability
ISSN号	1352-2310
DOI	10.1016/j.atmosenv.2020.117404
通讯作者	Jiang, Shuai(shuaijiang@ustc.edu.cn) ; Huang, Wei(huangwei6@ustc.edu.cn)
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.
资助项目	National Natural Science Foundation of China[41877305] ; National Natural Science Foundation of China[21573241] ; National Natural Science Foundation of China[41605099] ; National Natural Science Foundation of China[41705097] ; National Natural Science Foundation of China[41705111] ; National Natural Science Foundation of China[41775112] ; National Natural Science Foundation of China[41527808] ; National Science Fund for Distinguished Young Scholars[41725019] ; Key Research Program of Frontier Science, CAS[QYZDB-SSW-DQC031] ; Key Research Program of the Chinese Academy of Sciences[ZDRW-ZS-2016-4-3-6] ; National Key Research and Development program[2016YFC0202203] ; National Research Program for Key Issues in Air Pollution Control[DQGG0103] ; Fundamental Research Funds for the Central Universities[WK2100100031]
WOS关键词	METHANE SULFONIC-ACID ; MARINE BOUNDARY-LAYER ; SULFURIC-ACID ; PARTICLE FORMATION ; HOMOGENEOUS NUCLEATION ; DENSITY FUNCTIONALS ; EXPERIMENTAL SETUP ; ALIPHATIC-AMINES ; FREE-ENERGIES ; WATER
WOS研究方向	Environmental Sciences & Ecology ; Meteorology & Atmospheric Sciences
语种	英语
出版者	PERGAMON-ELSEVIER SCIENCE LTD
WOS记录号	WOS:000525867000016
资助机构	National Natural Science Foundation of China ; National Science Fund for Distinguished Young Scholars ; Key Research Program of Frontier Science, CAS ; Key Research Program of the Chinese Academy of Sciences ; National Key Research and Development program ; National Research Program for Key Issues in Air Pollution Control ; Fundamental Research Funds for the Central Universities
内容类型	期刊论文
源URL	[http://ir.hfcas.ac.cn:8080/handle/334002/103661]
专题	中国科学院合肥物质科学研究院
通讯作者	Jiang, Shuai; Huang, Wei
作者单位	1.Univ Sci & Technol China, Sch Informat Sci & Technol, Hefei 230026, Anhui, Peoples R China 2.Chinese Acad Sci, Anhui Inst Opt & Fine Mech, Lab Atmospher Phys Chem, Hefei 230031, Anhui, Peoples R China 3.Chinese Acad Sci, Ctr Excellent Urban Atmospher Environm, Inst Urban Environm, Xiamen 361021, Fujian, Peoples R China
推荐引用方式 GB/T 7714	Xu, Cai-Xin,Jiang, Shuai,Liu, Yi-Rong,et al. Formation of atmospheric molecular clusters of methanesulfonic acid-Diethylamine complex and its atmospheric significance[J]. ATMOSPHERIC ENVIRONMENT,2020,226.
APA	Xu, Cai-Xin.,Jiang, Shuai.,Liu, Yi-Rong.,Feng, Ya-Juan.,Wang, Zi-Hang.,...&Huang, Wei.(2020).Formation of atmospheric molecular clusters of methanesulfonic acid-Diethylamine complex and its atmospheric significance.ATMOSPHERIC ENVIRONMENT,226.
MLA	Xu, Cai-Xin,et al."Formation of atmospheric molecular clusters of methanesulfonic acid-Diethylamine complex and its atmospheric significance".ATMOSPHERIC ENVIRONMENT 226(2020).