The nucleation mechanism of succinic acid involved sulfuric acid - Dimethylamine in new particle formation

doi:10.1016/j.atmosenv.2021.118683

	The nucleation mechanism of succinic acid involved sulfuric acid - Dimethylamine in new particle formation
	Wang, Zhong-Quan 1,2,3; Liu, Yi-Rong 2; Wang, Chun-Yu 2; Jiang, Shuai 2; Feng, Ya-Juan 2; Huang, Teng 1; Huang, Wei 1,2,4
刊名	ATMOSPHERIC ENVIRONMENT
	2021-10-15
卷号	263
关键词	Nucleation mechanism Proton transfer Evaporation rate Atmospheric relevance
ISSN号	1352-2310
DOI	10.1016/j.atmosenv.2021.118683
通讯作者	Liu, Yi-Rong(yrliu@ustc.edu.cn) ; Huang, Wei(huangwei6@ustc.edu.cn)
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.
资助项目	National Science Fund for Distinguished Young Scholars[41725019] ; National Key Research and Development Program[2016YFC0202203] ; National Natural Science Foundation of China[41775122] ; 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[41877305] ; National Natural Science Foundation of China[41527808] ; Key Research Program of Frontier Science, CAS[QYZDB-SSW-DQC031] ; National Research Program for Key Issues in Air Pollution Control[DQGG0103] ; Fundamental Research Funds for the Central Universities[WK2100000008]
WOS关键词	ATMOSPHERIC MOLECULAR CLUSTERS ; SECONDARY ORGANIC AEROSOL ; WEIGHT DICARBOXYLIC-ACIDS ; GAS-PHASE HYDRATION ; METHANESULFONIC-ACID ; OXALIC-ACID ; ALPHA-DICARBONYLS ; WATER ; METHYLAMINE ; COMPLEX
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:000691515700001
资助机构	National Science Fund for Distinguished Young Scholars ; National Key Research and Development Program ; National Natural Science Foundation of China ; Key Research Program of Frontier Science, CAS ; 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/334002/125213]
专题	中国科学院合肥物质科学研究院
通讯作者	Liu, Yi-Rong; Huang, Wei
作者单位	1.Chinese Acad Sci, Hefei Inst Phys 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.Huainan Normal Univ, Dept Phys, Huainan 232001, Anhui, Peoples R China 4.Chinese Acad Sci, Inst Urban Environm, Ctr Excellence Urban Atmospher Environm, Xiamen 361021, Fujian, Peoples R China
推荐引用方式 GB/T 7714	Wang, Zhong-Quan,Liu, Yi-Rong,Wang, Chun-Yu,et al. The nucleation mechanism of succinic acid involved sulfuric acid - Dimethylamine in new particle formation[J]. ATMOSPHERIC ENVIRONMENT,2021,263.
APA	Wang, Zhong-Quan.,Liu, Yi-Rong.,Wang, Chun-Yu.,Jiang, Shuai.,Feng, Ya-Juan.,...&Huang, Wei.(2021).The nucleation mechanism of succinic acid involved sulfuric acid - Dimethylamine in new particle formation.ATMOSPHERIC ENVIRONMENT,263.
MLA	Wang, Zhong-Quan,et al."The nucleation mechanism of succinic acid involved sulfuric acid - Dimethylamine in new particle formation".ATMOSPHERIC ENVIRONMENT 263(2021).