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DOI	10.1016/j.atmosenv.2021.118683
	The nucleation mechanism of succinic acid involved sulfuric acid - Dimethylamine in new particle formation
	Wang Z.-Q.; Liu Y.-R.; Wang C.-Y.; Jiang S.; Feng Y.-J.; Huang T.; Huang W.
发表日期	2021
ISSN	1352-2310
卷号	263
英文摘要	Succinic acid (SUA) is a common dicarboxylic acid frequently observed in aerosols. Understanding the role of succinic acid in atmospheric new particle formation is essential to study the complicated nucleation mechanism. In this study, high-precision quantum chemical calculations and atmospheric clusters dynamic code (ACDC) simulations are used to investigate the nucleation mechanism of the (SA)x(SUA)y(DMA)z (0 = x, y, z ≤ 3) multicomponent system. The most stable molecular structures show that SUA can form relatively stable clusters with the SA-DMA system by hydrogen bond and proton-transfer interactions. Similar to SA molecules, SUA can provide protons to DMA when excess DMA molecules are available. ACDC simulations indicate that SUA can contribute to the cluster formation, especially at low sulfuric acid concentration and high succinic acid concentration. Moreover, the main cluster flux out of the SUA-containing system is along the non-diagonal (the number of acid molecules is greater than that of base molecules), which is different from the pure SA-DMA system. These clusters are stable enough to be present at a fairly high concentration, and could be a platform for growth into the larger sizes. This organic acid involved cluster formation may explain high nucleation rate at low sulfuric acid concentration and high organic acid concentration. © 2021 Elsevier Ltd
关键词	Atmospheric relevance Evaporation rate Nucleation mechanism Proton transfer
语种	英语
scopus关键词	Atmospheric chemistry; Hydrogen bonds; Molecules; Proton transfer; Quantum chemistry; Sulfuric acid; Acid concentrations; Atmospheric relevance; Cluster dynamics; Cluster formations; Code simulation; Dimethylamines; Evaporation rate; New particle formation; Nucleation mechanism; Succinic acids; Nucleation; chemical compound; concentration (composition); detection method; molecular analysis; organic acid; sulfuric acid
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/248251
作者单位	Laboratory of Atmospheric Physico-Chemistry, Anhui Institute of Optics & Fine Mechanics, Hefei Institutes of Physical Science, Chinese Academy of Sciences, Hefei, Anhui 230031, China; School of Information Science and Technology, University of Science and Technology of China, Hefei, Anhui 230026, China; Department of Physics, Huainan Normal University, Huainan, Anhui 232001, China; Center for Excellence 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	Wang Z.-Q.,Liu Y.-R.,Wang C.-Y.,et al. The nucleation mechanism of succinic acid involved sulfuric acid - Dimethylamine in new particle formation[J],2021,263.
APA	Wang Z.-Q..,Liu Y.-R..,Wang C.-Y..,Jiang S..,Feng Y.-J..,...&Huang W..(2021).The nucleation mechanism of succinic acid involved sulfuric acid - Dimethylamine in new particle formation.ATMOSPHERIC ENVIRONMENT,263.
MLA	Wang Z.-Q.,et al."The nucleation mechanism of succinic acid involved sulfuric acid - Dimethylamine in new particle formation".ATMOSPHERIC ENVIRONMENT 263(2021).