globalchange  > 全球变化的国际研究计划
DOI: 10.1021/acs.jpcc.9b03252
WOS记录号: WOS:000480502300018
论文题名:
Uptake of Common Atmospheric Gases by Organic-Coated Water Droplets
作者: Li, Wentao; Pak, Chi Yuen; Wang, Xinyan; Tse, Ying-Lung Steve
通讯作者: Tse, Ying-Lung Steve
刊名: JOURNAL OF PHYSICAL CHEMISTRY C
ISSN: 1932-7447
EISSN: 1932-7455
出版年: 2019
卷: 123, 期:31, 页码:18924-18931
语种: 英语
WOS关键词: MASS ACCOMMODATION COEFFICIENT ; MOLECULAR-DYNAMICS SIMULATIONS ; SURFACE-TENSION ; AEROSOL-PARTICLES ; INTERFACE ; FILMS ; ACID ; CONDENSATION ; ADSORPTION ; CLIMATE
WOS学科分类: Chemistry, Physical ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary
WOS研究方向: Chemistry ; Science & Technology - Other Topics ; Materials Science
英文摘要:

Organic matter is ubiquitous in the atmosphere. It can form coatings that directly influence both the physical and chemical properties of the atmospheric water droplets and can have important but nontrivial consequences of climate changes. To understand the effects of organic coatings on gas uptake by atmospheric water droplets, we studied the uptake of three common atmospheric gases (H2O, O-3 , and SO2) by benzoic acid (BA)- or lauric acid (LA)-coated water droplets in both equilibrium and nonequilibrium molecular dynamics simulations. Free energy Delta F profiles for gas uptake by these coated systems were compared with the uncoated results in our previous work. We found that the changes in Coulomb energy dominate the changes in potential energy Delta U in the BA-coated systems, whereas the changes in Lennard-Jones energy play an important role in the LA-coated systems due to the long alkyl chains. We also found a clear positive correlation between the entropic contribution T Delta S and the mobility of water and organic molecules. To study the dynamics and kinetics, we investigated how the organic coatings affect the mass accommodation coefficient alpha in nonequilibrium gas impinging runs. While the effects of the organic coating on alpha can be different for different gases, we found a general explanation for the change in alpha in terms of the relative positions of the air-organic interface and Delta F minimum.


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资源类型: 期刊论文
标识符: http://119.78.100.158/handle/2HF3EXSE/145287
Appears in Collections:全球变化的国际研究计划

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作者单位: Chinese Univ Hong Kong, Dept Chem, Shatin, Hong Kong, Peoples R China

Recommended Citation:
Li, Wentao,Pak, Chi Yuen,Wang, Xinyan,et al. Uptake of Common Atmospheric Gases by Organic-Coated Water Droplets[J]. JOURNAL OF PHYSICAL CHEMISTRY C,2019-01-01,123(31):18924-18931
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