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| DOI | 10.1016/j.atmosenv.2021.118558 |
| Multicomponent nucleation of malonic acid involved in the sulfuric acid - dimethylamine system and its atmospheric implications | |
| 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 | 267 |
| 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 SA-MOA-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. © 2021 Elsevier Ltd |
| 关键词 | Atmospheric relevanceEvaporation rateNucleation mechanismProton transfer |
| 语种 | 英语 |
| scopus关键词 | Ammonia; Atmospheric aerosols; Atmospheric chemistry; Atmospheric humidity; Atmospheric temperature; Carboxylic acids; Crystallization; Hydrogen bonds; Proton transfer; Quantum chemistry; Sulfuric acid; Atmospheric implications; Atmospheric relevance; Dicarboxylic acid; Dimethylamines; Evaporation rate; Formation rates; Malonic acid; Multicomponents; New particle formation; Nucleation mechanism; Nucleation; dimethylamine; hydrogen; hydroxyl group; malonic acid; monomer; nitrogen; proton; sulfuric acid; aerosol; aerosol formation; atmospheric chemistry; carboxylic acid; nucleation; organic compound; sulfuric acid; Article; atmosphere; chemical structure; controlled study; evaporation; hydrogen bond; proton transport; temperature; vapor |
| 来源期刊 | ATMOSPHERIC ENVIRONMENT
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| 文献类型 | 期刊论文 |
| 条目标识符 | http://gcip.llas.ac.cn/handle/2XKMVOVA/248184 |
| 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. Multicomponent nucleation of malonic acid involved in the sulfuric acid - dimethylamine system and its atmospheric implications[J],2021,267. |
| APA | Wang Z.-Q..,Liu Y.-R..,Wang C.-Y..,Jiang S..,Feng Y.-J..,...&Huang W..(2021).Multicomponent nucleation of malonic acid involved in the sulfuric acid - dimethylamine system and its atmospheric implications.ATMOSPHERIC ENVIRONMENT,267. |
| MLA | Wang Z.-Q.,et al."Multicomponent nucleation of malonic acid involved in the sulfuric acid - dimethylamine system and its atmospheric implications".ATMOSPHERIC ENVIRONMENT 267(2021). |
| 条目包含的文件 | 条目无相关文件。 | |||||
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