A study on the microscopic mechanism of methanesulfonic acid-promoted binary nucleation of sulfuric acid and water

doi:10.1016/j.atmosenv.2018.07.050

	A study on the microscopic mechanism of methanesulfonic acid-promoted binary nucleation of sulfuric acid and water
	Wen, Hui 1; Huang, Teng1 ; Wang, Chun-Yu 1; Peng, Xiu-Qiu 1; Jiang, Shuai 2; Liu, Yi-Rong2 ; Huang, Wei1,2,3
	2018-10-01
发表期刊	ATMOSPHERIC ENVIRONMENT
ISSN	1352-2310
通讯作者	Huang, Wei(Huangwei6@ustc.edu.cn)
摘要	Methanesulfonic acid (MSA) is believed to play an important role in the formation and growth of atmospheric organic aerosols and could facilitate the binary nucleation of sulfuric acid (SA)-water (W). However, understanding of larger clusters formed by gas-phase MSA with atmospheric nucleation precursors from microscopic aspect is lacking. In this work, to study the microscopic mechanism of the ternary nucleation, the structural characteristics and thermodynamics of MSA clusters with SA in the presence of up to six W molecules have been investigated. It was found that MSA forms relatively stable clusters with SA and W molecules and that acid dissociation plays an important role. The analysis of the atmospheric relevance indicates that the heterodimer MSA-SA and monohydrated cluster MSA-SA-W-1 show an obvious relative concentration in the atmosphere, and thus, these species likely participate in new particle formation (NPF). However, with an increasing number of W molecules, the concentration of clusters gradually decreases. Additionally, the minimum energy isomer of MSA-SA-W-4 is predicted to possess a relatively stable configuration under the employed temperature dependence analysis, and evaporation rate analysis. The detailed non-covalent interactions of MSA-SA-Wn, n = 3-6 cluster have been thoroughly studied for the first time.
关键词	Microscopic mechanism Methanesulfonic acid Sulfuric acid-water Ternary nucleation Atmospheric relevance Evaporation rate
DOI	10.1016/j.atmosenv.2018.07.050
关键词[WOS]	METHANE SULFONIC-ACID ; PARTICLE FORMATION ; AEROSOL FORMATION ; ATMOSPHERIC IMPLICATIONS ; OXALIC-ACID ; HETEROGENEOUS REACTIONS ; MOLECULAR CLUSTERS ; GAS-PHASE ; HYDRATION ; NANOPARTICLES
收录类别	SCI
语种	英语
资助项目	National Natural Science Foundation of China[41775122] ; National Natural Science Foundation of China[21403244] ; 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 Key Research and Development program[2016YFC0202703] ; National Research Program for Key Issues in Air Pollution Control[DQGG0103] ; National Natural Science Foundation of China[41775122] ; National Natural Science Foundation of China[21403244] ; 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 Key Research and Development program[2016YFC0202703] ; National Research Program for Key Issues in Air Pollution Control[DQGG0103]
项目资助者	National Natural Science Foundation of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; National Science Fund for Distinguished Young Scholars ; National Science Fund for Distinguished Young Scholars ; National Science Fund for Distinguished Young Scholars ; National Science Fund for Distinguished Young Scholars ; Key Research Program of Frontier Science, CAS ; Key Research Program of Frontier Science, CAS ; Key Research Program of Frontier Science, CAS ; Key Research Program of Frontier Science, CAS ; Key Research Program of the Chinese Academy of Sciences ; Key Research Program of the Chinese Academy of Sciences ; Key Research Program of the Chinese Academy of Sciences ; Key Research Program of the Chinese Academy of Sciences ; National Key Research and Development program ; National Key Research and Development program ; National Key Research and Development program ; National Key Research and Development program ; National Research Program for Key Issues in Air Pollution Control ; National Research Program for Key Issues in Air Pollution Control ; National Research Program for Key Issues in Air Pollution Control ; National Research Program for Key Issues in Air Pollution Control ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; National Science Fund for Distinguished Young Scholars ; National Science Fund for Distinguished Young Scholars ; National Science Fund for Distinguished Young Scholars ; National Science Fund for Distinguished Young Scholars ; Key Research Program of Frontier Science, CAS ; Key Research Program of Frontier Science, CAS ; Key Research Program of Frontier Science, CAS ; Key Research Program of Frontier Science, CAS ; Key Research Program of the Chinese Academy of Sciences ; Key Research Program of the Chinese Academy of Sciences ; Key Research Program of the Chinese Academy of Sciences ; Key Research Program of the Chinese Academy of Sciences ; National Key Research and Development program ; National Key Research and Development program ; National Key Research and Development program ; National Key Research and Development program ; National Research Program for Key Issues in Air Pollution Control ; National Research Program for Key Issues in Air Pollution Control ; National Research Program for Key Issues in Air Pollution Control ; National Research Program for Key Issues in Air Pollution Control
WOS研究方向	Environmental Sciences & Ecology ; Meteorology & Atmospheric Sciences
WOS类目	Environmental Sciences ; Meteorology & Atmospheric Sciences
WOS记录号	WOS:000447579800023
出版者	PERGAMON-ELSEVIER SCIENCE LTD
引用统计	被引频次：13[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.hfcas.ac.cn:8080/handle/334002/39578
专题	中科院安徽光学精密机械研究所
通讯作者	Huang, Wei
作者单位	1.Chinese Acad Sci, Lab Atmospher Physicochem, Anhui Inst Opt & Fine Mech, Hefei 230031, Anhui, Peoples R China 2.Univ Sci & Technol China, Sch Informat Sci & Technol, Hefei 230026, Anhui, Peoples R China 3.Chinese Acad Sci, Ctr Excellence Urban Atmospher Environm, Inst Urban Environm, Xiamen 361021, Fujian, Peoples R China
推荐引用方式 GB/T 7714	Wen, Hui,Huang, Teng,Wang, Chun-Yu,et al. A study on the microscopic mechanism of methanesulfonic acid-promoted binary nucleation of sulfuric acid and water[J]. ATMOSPHERIC ENVIRONMENT,2018,191:214-226.
APA	Wen, Hui.,Huang, Teng.,Wang, Chun-Yu.,Peng, Xiu-Qiu.,Jiang, Shuai.,...&Huang, Wei.(2018).A study on the microscopic mechanism of methanesulfonic acid-promoted binary nucleation of sulfuric acid and water.ATMOSPHERIC ENVIRONMENT,191,214-226.
MLA	Wen, Hui,et al."A study on the microscopic mechanism of methanesulfonic acid-promoted binary nucleation of sulfuric acid and water".ATMOSPHERIC ENVIRONMENT 191(2018):214-226.