Mechanistic Study of the Aqueous Reaction of Organic Peroxides with HSO3- on the Surface of a Water Droplet
文献类型：期刊论文
| 作者 | Li, Hao ; Wang, Xiao; Zhong, Jie; Chu, Biwu; Ma, Qingxin; Zeng, Xiao Cheng; Francisco, Joseph S.; He, Hong
|
| 刊名 | ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
 |
| 出版日期 | 2021-09-06 |
| 卷号 | 60期号:37页码:20200-20203 |
| 关键词 | aqueous surface HSO3- organic peroxides sulfates |
| ISSN号 | 1433-7851 |
| 英文摘要 | Aqueous reactions between organic peroxides and SO2 are of intense interest in atmospheric science because of their ubiquitous implications for sulfate formation in secondary aerosols. However, the relative yields of the reaction products (inorganic vs. organic sulfates) remain controversial (i.e., 90 % vs. 40-70 % for inorganic sulfate) due in part to the lack of understanding of the underlying reaction mechanisms. Here, our computational results suggest that the reactions of HSO3- (dissolved SO2) with organic peroxides are initiated on the surface of water nanodroplets and then proceed under two reaction pathways, in which the S atom of HSO3- attacks either the O1 or O2 atom of the peroxide group -O(O2)O(O1)H, leading to the formation of inorganic and organic sulfates, respectively. Notably, we find that thse reaction initiated by O1 atom exhibits a relatively low energy barrier and high reaction rate, which favours the formation of inorganic sulfate. |
| WOS研究方向 | Chemistry, Multidisciplinary |
| 源URL | [http://ir.rcees.ac.cn/handle/311016/46054]  |
| 专题 | 生态环境研究中心_水污染控制实验室 |
| 作者单位 | 1.Chinese Acad Sci, Res Ctr Ecoenvironm Sci, State Key Joint Lab Environm Simulat & Pollut Con, Beijing 100085, Peoples R China 2.China Univ Petr, Sch Mat Sci & Engn, Qingdao 266580, Shandong, Peoples R China 3.Univ Penn, Dept Earth & Environm Sci, Philadelphia, PA 19104 USA 4.Univ Penn, Dept Chem, Philadelphia, PA 19104 USA 5.Univ Nebraska, Dept Chem, Lincoln, NE 68588 USA 6.Chinese Acad Sci, Inst Urban Environm, Ctr Excellence Reg Atmospher Environm, Xiamen 361 |
| 推荐引用方式 GB/T 7714 | Li, Hao,Wang, Xiao,Zhong, Jie,et al. Mechanistic Study of the Aqueous Reaction of Organic Peroxides with HSO3- on the Surface of a Water Droplet[J]. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION,2021,60(37):20200-20203. |
| APA | Li, Hao.,Wang, Xiao.,Zhong, Jie.,Chu, Biwu.,Ma, Qingxin.,...&He, Hong.(2021).Mechanistic Study of the Aqueous Reaction of Organic Peroxides with HSO3- on the Surface of a Water Droplet.ANGEWANDTE CHEMIE-INTERNATIONAL EDITION,60(37),20200-20203. |
| MLA | Li, Hao,et al."Mechanistic Study of the Aqueous Reaction of Organic Peroxides with HSO3- on the Surface of a Water Droplet".ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 60.37(2021):20200-20203. |
入库方式： OAI收割
来源：生态环境研究中心
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