Volatile organic compounds enhancing sulfuric acid-based ternary homogeneous nucleation: The important role of synergistic effect

doi:10.1016/j.atmosenv.2020.117609

	Volatile organic compounds enhancing sulfuric acid-based ternary homogeneous nucleation: The important role of synergistic effect
	Zhao, Yu 2; Liu, Yi-Rong 2; Jiang, Shuai 2; Huang, Teng 1; Wang, Zi-Hang 2; Xu, Cai-Xin 2; Feng, Ya-Juan 2; Huang, Wei 1,2,3
刊名	ATMOSPHERIC ENVIRONMENT
	2020-07-15
卷号	233
关键词	Nucleation mechanism Synergistic effect Atmospheric relevance Evaporation rate Proton transfer
ISSN号	1352-2310
DOI	10.1016/j.atmosenv.2020.117609
通讯作者	Feng, Ya-Juan(fengyj6@ustc.edu.cn) ; Huang, Wei(huangwei6@ustc.edu.cn)
英文摘要	New particle formation (NPF) is an important source of atmospheric aerosols. Sulfuric acid (SA) and water (W) are recognized as essential participating substances in the nucleation of the atmosphere. In addition, as one of the most common organic acids, oxalic acid (OA) can improve NPF when amine such as methylamine (MA) is present. However, exploring the properties of atmospheric particles made up of different components is challenging and the role of volatile organic compounds in SA-based ternary homogeneous nucleation is still lacking in research. In this work, the structures and energies of (SA)(x)(OA)(y)(MA)(z)(W)(m) (0 <= x, y, z <= 3, 0 <= m <= 1) are investigated. The results indicate that it is accessible for SA to form clusters with OA and MA molecules through hydrogen bonds and proton transfer interactions. The analysis of non-covalent interactions and proton transfer reveals that ternary nucleation systems have stronger hydrogen bonds and more proton transfers than binary systems to stabilize the clusters. In terms of the thermodynamic properties, the Gibbs free energies of the clusters will decrease as the addition of SA, OA or MA molecules indicating that the synergistic effect of these three substances may be of potential in forming the initial cluster and subsequent growth processes. Moreover, the evaporation rates of clusters show that the synergistic effect of ternary clusters leads to a decrease in evaporation rate which may promote atmospheric nucleation.
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] ; 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 of China[WK2100000008]
WOS关键词	PARTICLE FORMATION ; METHANESULFONIC-ACID ; OXALIC-ACID ; ATMOSPHERIC NANOPARTICLES ; DICARBOXYLIC-ACIDS ; MOLECULAR CLUSTERS ; ULTRAFINE AEROSOL ; PROTON-TRANSFER ; GOLD CLUSTERS ; GAS-PHASE
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:000539152300016
资助机构	National Natural Science Foundation of China ; National Science Fund for Distinguished Young Scholars ; Key Research Program of Frontier Science, CAS ; National Key Research and Development program ; National Research Program for Key Issues in Air Pollution Control ; Fundamental Research Funds for the Central Universities of China
内容类型	期刊论文
源URL	[http://ir.hfcas.ac.cn:8080/handle/334002/103057]
专题	中国科学院合肥物质科学研究院
通讯作者	Feng, Ya-Juan; Huang, Wei
作者单位	1.Chinese Acad Sci, Anhui Inst Opt & Fine Mech, Lab Atmospher Physicochem, Hefei 230031, Anhui, Peoples R China 2.Univ Sci & Technol China, Sch Informat Sci & Technol, Hefei 230026, Anhui, Peoples R China 3.CAS Ctr Excellent Urban Atmospher Environm, Xiamen 361021, Fujian, Peoples R China
推荐引用方式 GB/T 7714	Zhao, Yu,Liu, Yi-Rong,Jiang, Shuai,et al. Volatile organic compounds enhancing sulfuric acid-based ternary homogeneous nucleation: The important role of synergistic effect[J]. ATMOSPHERIC ENVIRONMENT,2020,233.
APA	Zhao, Yu.,Liu, Yi-Rong.,Jiang, Shuai.,Huang, Teng.,Wang, Zi-Hang.,...&Huang, Wei.(2020).Volatile organic compounds enhancing sulfuric acid-based ternary homogeneous nucleation: The important role of synergistic effect.ATMOSPHERIC ENVIRONMENT,233.
MLA	Zhao, Yu,et al."Volatile organic compounds enhancing sulfuric acid-based ternary homogeneous nucleation: The important role of synergistic effect".ATMOSPHERIC ENVIRONMENT 233(2020).