Knowledge Resource Center for Ecological Environment in Arid Area
DOI | 10.1016/j.atmosenv.2014.12.044 |
Theoretical investigation on the role of mineral dust aerosol in atmospheric reaction: A case of the heterogeneous reaction of formaldehyde with NO2 onto SiO2 dust surface | |
Ji, Yuemeng1,2; Wang, Honghong1,2,3; Li, Guiying1,2; An, Taicheng1,2 | |
通讯作者 | An, Taicheng |
来源期刊 | ATMOSPHERIC ENVIRONMENT
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ISSN | 1352-2310 |
EISSN | 1873-2844 |
出版年 | 2015 |
卷号 | 103页码:207-214 |
英文摘要 | The role of mineral dusts on the heterogeneous reaction of formaldehyde with NO2 was investigated using a quantum chemical approach. SiO2 was selected as a model of mineral dust to investigate the heterogeneous reaction mechanism and kinetics because the mineral dust is comprised of similar to 60% of SiO2. Compared with NO2, formaldehyde was easily adsorbed onto SiO2 model, indicating SiO2 was a sink for formaldehyde. Further data showed that the presence of SiO2 reduced the reaction barrier, but did not change reaction mechanism. The kinetics calculation using the canonical variational transition state theory plus small curvature tunneling correction showed that the presence of SiO2 could accelerate the atmospheric reaction rate of formaldehyde with NO2 to produce HONO. The effect of the altitudes was also considered, and the heterogeneous reaction rate decreased with increasing the altitude due to the atmospheric temperature decrease, suggesting that the degradation of atmospheric HCHO onto available mineral dusts might be competitive with the corresponding homogeneous reaction, especially in dusty urban and desert environments. This work can lay the foundation on the atmospheric heterogeneous reaction of VOCs, probe the role of mineral dust and establish the atmospheric transformation models, to better understand pollution mechanism. (C) 2014 Elsevier Ltd. All rights reserved. |
英文关键词 | Atmospheric reactions Heterogeneous Mineral dust Mechanism Theoretical model |
类型 | Article |
语种 | 英语 |
国家 | Peoples R China |
收录类别 | SCI-E |
WOS记录号 | WOS:000349586400024 |
WOS关键词 | SILICA-BASED CLUSTERS ; AB-INITIO ; GAS-PHASE ; KINETICS ; MECHANISM ; HONO ; DEGRADATION ; ALPHA-AL2O3 ; CHEMISTRY ; OXIDATION |
WOS类目 | Environmental Sciences ; Meteorology & Atmospheric Sciences |
WOS研究方向 | Environmental Sciences & Ecology ; Meteorology & Atmospheric Sciences |
资源类型 | 期刊论文 |
条目标识符 | http://119.78.100.177/qdio/handle/2XILL650/186077 |
作者单位 | 1.Chinese Acad Sci, Guangzhou Inst Geochem, State Key Lab Organ Geochem, Guangzhou 510640, Guangdong, Peoples R China; 2.Chinese Acad Sci, Guangzhou Inst Geochem, Guangdong Key Lab Environm Resources Utilizat & P, Guangzhou 510640, Guangdong, Peoples R China; 3.Univ Chinese Acad Sci, Beijing 100049, Peoples R China |
推荐引用方式 GB/T 7714 | Ji, Yuemeng,Wang, Honghong,Li, Guiying,et al. Theoretical investigation on the role of mineral dust aerosol in atmospheric reaction: A case of the heterogeneous reaction of formaldehyde with NO2 onto SiO2 dust surface[J],2015,103:207-214. |
APA | Ji, Yuemeng,Wang, Honghong,Li, Guiying,&An, Taicheng.(2015).Theoretical investigation on the role of mineral dust aerosol in atmospheric reaction: A case of the heterogeneous reaction of formaldehyde with NO2 onto SiO2 dust surface.ATMOSPHERIC ENVIRONMENT,103,207-214. |
MLA | Ji, Yuemeng,et al."Theoretical investigation on the role of mineral dust aerosol in atmospheric reaction: A case of the heterogeneous reaction of formaldehyde with NO2 onto SiO2 dust surface".ATMOSPHERIC ENVIRONMENT 103(2015):207-214. |
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