Multicomponent nucleation of malonic acid involved in the sulfuric acid-dimethylamine system and its atmospheric implications

doi:10.1016/j.atmosenv.2021.118558

	Multicomponent nucleation of malonic acid involved in the sulfuric acid-dimethylamine system and its atmospheric implications
	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
	2021-12-15
卷号	267
关键词	Nucleation mechanism Proton transfer Evaporation rate Atmospheric relevance
ISSN号	1352-2310
DOI	10.1016/j.atmosenv.2021.118558
通讯作者	Liu, Yi-Rong(yrliu@ustc.edu.cn) ; Huang, Wei(huangwei6@ustc.edu.cn)
英文摘要	Malonic acid (MOA) is one of the main dicarboxylic acids in aerosols. Some field observations and experiments have revealed that malonic acid may be involved in new particle formation (NPF) events. However, there are few reports on the mechanism of atmospheric cluster formation involving MOA. In this study, high-precision quantum chemical calculations and dynamics simulations were used to investigate the mechanism by which MOA participates in a sulfuric acid (SA) - dimethylamine (DMA) multicomponent system. The most stable molecular structures show that MOA can form relatively stable clusters with the SA-DMA system by hydrogen bonding and proton-transfer interactions. Compared with the results of the CERN-CLOUD experiments, the formation rate of the SA-MOA-DMA system is between those of SA-DMA-W and SA-NH3-W systems at high concentration of DMA. This means that nucleation of the ternary SA-MOA-DMA system cannot be ignored in atmospheric aerosol nucleation. It was also found that temperature was crucial to the formation rate of the SAMOA-DMA system. The strong inverse relationship of the formation rate and temperature indicates that if the temperature decreases the ternary SA-MOA-DMA system becomes increasingly important in NPF events.
资助项目	National Science Fund for Distinguished Young Scholars, China[41725019] ; National Key Research and Development Program, China[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, China[QYZDB-SSW-DQC031] ; National Research Program for Key Issues in Air Pollution Control, China[DQGG0103] ; Fundamental Research Funds for the Central Universities[WK2100000008]
WOS关键词	PARTICLE FORMATION ; METHANESULFONIC-ACID ; OXALIC-ACID ; DICARBOXYLIC-ACIDS ; GAS-PHASE ; ALPHA-DICARBONYLS ; CLUSTERS ; AMMONIA ; AMINES ; 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:000707092400004
资助机构	National Science Fund for Distinguished Young Scholars, China ; National Key Research and Development Program, China ; National Natural Science Foundation of China ; Key Research Program of Frontier Science, CAS, China ; National Research Program for Key Issues in Air Pollution Control, China ; Fundamental Research Funds for the Central Universities
内容类型	期刊论文
源URL	[http://ir.hfcas.ac.cn:8080/handle/334002/125625]
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, Anhui Inst Opt & Fine Mech, Hefei Inst Phys Sci, Lab Atmospher Phys Chem, 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, Ctr Excellence Urban Atmospher Environm, Inst Urban 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. Multicomponent nucleation of malonic acid involved in the sulfuric acid-dimethylamine system and its atmospheric implications[J]. ATMOSPHERIC ENVIRONMENT,2021,267.
APA	Wang, Zhong-Quan.,Liu, Yi-Rong.,Wang, Chun-Yu.,Jiang, Shuai.,Feng, Ya-Juan.,...&Huang, Wei.(2021).Multicomponent nucleation of malonic acid involved in the sulfuric acid-dimethylamine system and its atmospheric implications.ATMOSPHERIC ENVIRONMENT,267.
MLA	Wang, Zhong-Quan,et al."Multicomponent nucleation of malonic acid involved in the sulfuric acid-dimethylamine system and its atmospheric implications".ATMOSPHERIC ENVIRONMENT 267(2021).