Clustering mechanism of oxocarboxylic acids involving hydration reaction: Implications for the atmospheric models
文献类型：期刊论文
| 作者 | Liu, Ling1; Kupiainen-Maatta, Oona2; Zhang, Haijie1; Li, Hao1; Zhong, Jie3; Kurten, Theo4; Vehkamaki, Hanna2; Zhang, Shaowen1; Zhang, Yunhong1; Ge, Maofa5 |
| 刊名 | JOURNAL OF CHEMICAL PHYSICS
 |
| 出版日期 | 2018-06-07 |
| 卷号 | 148期号:21 |
| ISSN号 | 0021-9606 |
| DOI | 10.1063/1.5030665 |
| 英文摘要 | The formation of atmospheric aerosol particles from condensable gases is a dominant source of particulate matter in the boundary layer, but the mechanism is still ambiguous. During the clustering process, precursors with different reactivities can induce various chemical reactions in addition to the formation of hydrogen bonds. However, the clustering mechanism involving chemical reactions is rarely considered in most of the nucleation process models. Oxocarboxylic acids are common compositions of secondary organic aerosol, but the role of oxocarboxylic acids in secondary organic aerosol formation is still not fully understood. In this paper, glyoxylic acid, the simplest and the most abundant atmospheric oxocarboxylic acid, has been selected as a representative example of oxocarboxylic acids in order to study the clustering mechanism involving hydration reactions using density functional theory combined with the Atmospheric Clusters Dynamic Code. The hydration reaction of glyoxylic acid can occur either in the gas phase or during the clustering process. Under atmospheric conditions, the total conversion ratio of glyoxylic acid to its hydration reaction product (2,2-dihydroxyacetic acid) in both gas phase and clusters can be up to 85%, and the product can further participate in the clustering process. The differences in cluster structures and properties induced by the hydration reaction lead to significant differences in cluster formation rates and pathways at relatively low temperatures. Published by AIP Publishing. |
| 语种 | 英语 |
| WOS记录号 | WOS:000434837600012 |
| 出版者 | AMER INST PHYSICS |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/42601]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Zhang, Xiuhui |
| 作者单位 | 1.Beijing Inst Technol, Key Lab Cluster Sci, Sch Chem & Chem Engn, Minist Educ China, Beijing 100081, Peoples R China 2.Univ Helsinki, Inst Atmospher & Earth Syst Res Phys, POB 64,Gustaf Hallstromin Katu 2a, FI-00014 Helsinki, Finland 3.Univ Nebraska Lincoln, Dept Chem, Lincoln, NE 68588 USA 4.Univ Helsinki, Inst Atmospher & Earth Syst Res Chem, POB 64,Gustaf Hallstromin Katu 2a, FI-00014 Helsinki, Finland 5.Chinese Acad Sci, BNLMS, State Key Lab Struct Chem Unstable & Stable Speci, Inst Chem, Beijing 100190, Peoples R China |
| 推荐引用方式 GB/T 7714 | Liu, Ling,Kupiainen-Maatta, Oona,Zhang, Haijie,et al. Clustering mechanism of oxocarboxylic acids involving hydration reaction: Implications for the atmospheric models[J]. JOURNAL OF CHEMICAL PHYSICS,2018,148(21). |
| APA | Liu, Ling.,Kupiainen-Maatta, Oona.,Zhang, Haijie.,Li, Hao.,Zhong, Jie.,...&Li, Zesheng.(2018).Clustering mechanism of oxocarboxylic acids involving hydration reaction: Implications for the atmospheric models.JOURNAL OF CHEMICAL PHYSICS,148(21). |
| MLA | Liu, Ling,et al."Clustering mechanism of oxocarboxylic acids involving hydration reaction: Implications for the atmospheric models".JOURNAL OF CHEMICAL PHYSICS 148.21(2018). |
入库方式： OAI收割
来源：化学研究所
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