了解大气中臭氧氧化甲亚磺酸的机制。
Understanding the oxidation mechanism of methanesulfinic acid by ozone in the atmosphere.
机构信息
Environment Research Institute, Shandong University, Jinan, 250100, China.
College of Biological and Environmental Engineering, Binzhou University, Binzhou, 256600, China.
出版信息
Sci Rep. 2019 Jan 23;9(1):322. doi: 10.1038/s41598-018-36405-0.
Methanesulfinic acid (MSIA) is an important intermediate in the oxidation of dimethyl sulfide (DMS) in the marine boundary layer. The oxidation of MSIA by ozone in the gas phase to form methanesulfonic acid (MSA) was investigated using theoretical calculations in this paper. Three pathways can be found for the reaction of MSIA with ozone. The highest energy barrier is 13.02 kcal mol in the most favorable pathway. By comparing the reaction rate of MSIA + O with that of MSIA + OH, it can be concluded that the oxidation of MSIA by O to form MSA is of minor significance relative to its oxidation by OH radical in the gas phase. This study can provide some information for the theoretical and experimental studies in the significantly heterogeneous and aqueous-phase oxidation of MSIA by O.
甲磺酸（MSA）是海洋边界层中二甲基硫（DMS）氧化过程中的重要中间体。本文采用理论计算研究了气相中臭氧氧化甲亚磺酸（MSIA）生成甲磺酸（MSA）的反应。发现 MSIA 与臭氧反应有三种可能的途径，最有利途径的能垒最高，为 13.02 kcal/mol。通过比较 MSIA + O 和 MSIA + OH 的反应速率，可以得出结论，O 对 MSIA 的氧化生成 MSA 的反应速率相对于气相中 OH 自由基的氧化反应速率较低。本研究可为 O 对 MSIA 的显著非均相和水相氧化的理论和实验研究提供一些信息。
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