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DOI | 10.5194/acp-19-2833-2019 |
Understanding the catalytic role of oxalic acid in SO3 hydration to form H2SO4 in the atmosphere | |
Lv, Guochun1; Sun, Xiaomin1; Zhang, Chenxi2; Li, Mei3,4 | |
2019-03-04 | |
发表期刊 | ATMOSPHERIC CHEMISTRY AND PHYSICS |
ISSN | 1680-7316 |
EISSN | 1680-7324 |
出版年 | 2019 |
卷号 | 19期号:5页码:2833-2844 |
文章类型 | Article |
语种 | 英语 |
国家 | Peoples R China |
英文摘要 | The hydration of SO3 plays an important role in atmospheric sulfuric acid formation. Some atmospheric species can be involved in and facilitate the reaction. In this work, using quantum chemical calculations, we show that oxalic acid, the most common dicarboxylic acid in the atmosphere, can effectively catalyze the hydration of SO3. The energy barrier of the SO3 hydration reaction catalyzed by oxalic acid (cTt, tTt, tCt and cCt conformers) is a little higher or less than 1 kcal mol(-1), which is lower than the energy barrier of 5.17 kcal mol(-1) for water-catalyzed SO3 hydration. Compared with the rates of the SO3 hydration reaction catalyzed by oxalic acid and water, it can be found that in the upper troposphere the OA-catalyzed SO3 hydration can play an important role in promoting SO3 hydration. It leads us to conclude that the involvement of oxalic acid in SO3 hydration to form H2SO4 is significant in the atmosphere. |
领域 | 地球科学 |
收录类别 | SCI-E |
WOS记录号 | WOS:000460204600006 |
WOS关键词 | GAS-PHASE REACTION ; SULFURIC-ACID ; DICARBOXYLIC-ACIDS ; AB-INITIO ; METHANESULFONIC-ACID ; ALPHA-DICARBONYLS ; RATE CONSTANTS ; BENZOIC-ACID ; WATER ; MECHANISM |
WOS类目 | Environmental Sciences ; Meteorology & Atmospheric Sciences |
WOS研究方向 | Environmental Sciences & Ecology ; Meteorology & Atmospheric Sciences |
引用统计 | |
文献类型 | 期刊论文 |
条目标识符 | http://119.78.100.173/C666/handle/2XK7JSWQ/18359 |
专题 | 地球科学 |
作者单位 | 1.Shandong Univ, Environm Res Inst, Jinan 250100, Shandong, Peoples R China; 2.Binzhou Univ, Coll Biol & Environm Engn, Binzhou 256600, Peoples R China; 3.Jinan Univ, Inst Mass Spectrometer & Atmospher Environm, Guangzhou 510632, Guangdong, Peoples R China; 4.Guangdong Prov Engn Res Ctr Online Source Apporti, Guangzhou 510632, Guangdong, Peoples R China |
推荐引用方式 GB/T 7714 | Lv, Guochun,Sun, Xiaomin,Zhang, Chenxi,et al. Understanding the catalytic role of oxalic acid in SO3 hydration to form H2SO4 in the atmosphere[J]. ATMOSPHERIC CHEMISTRY AND PHYSICS,2019,19(5):2833-2844. |
APA | Lv, Guochun,Sun, Xiaomin,Zhang, Chenxi,&Li, Mei.(2019).Understanding the catalytic role of oxalic acid in SO3 hydration to form H2SO4 in the atmosphere.ATMOSPHERIC CHEMISTRY AND PHYSICS,19(5),2833-2844. |
MLA | Lv, Guochun,et al."Understanding the catalytic role of oxalic acid in SO3 hydration to form H2SO4 in the atmosphere".ATMOSPHERIC CHEMISTRY AND PHYSICS 19.5(2019):2833-2844. |
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