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Methanol adsorption studies of electrified ACF by MD simulations

文献类型：期刊论文

作者Liang, SQ; Xu, JZ
刊名SCIENCE IN CHINA SERIES E-ENGINEERING & MATERIALS SCIENCE
出版日期2004-12-01
卷号47期号:6页码:667-675
关键词ACF methanol adsorption MD static electricity
英文摘要In order to clarify whether static electricity can impose a control on physical adsorption of polar adsorbates, MD simulations were carried out to study the adsorption/desorption behavior of methanol in the nanopores of electrified activated carbon fiber (ACF). Some special phenomena were observed from the MD simulations for methanol adsorption in a mesopore of electrified ACF. For example it takes a shorter time for the adsorbates to reach the adsorption sites on the mesopore wall, the liquid-like methanol is highly condensed, the methanol molecules have a unique distribution of space orientation, and the total energy of equilibrium state dropped a lot. These phenomena indicate the static electricity reinforced the interaction between the polar methanol and the electrified ACF, so that the intensity, stability and regularity of adsorption were increased, and thus we predict that the adsorption capacity will be increased and the adsorption process will be accelerated. When adsorption equilibrium was reached at room temperature, eliminated the electric charges and heated the system, the desorption tendency was evidently observed from our simulations at 60degreesC or so.
WOS标题词Science & Technology ; Technology
类目[WOS]Engineering, Multidisciplinary ; Materials Science, Multidisciplinary
研究领域[WOS]Engineering ; Materials Science
收录类别SCI
语种英语
WOS记录号WOS:000226585700005
公开日期2015-12-22
源URL[http://ir.etp.ac.cn/handle/311046/106193]  
专题工程热物理研究所_中国科学院工程热物理所（论文库）_期刊论文（SCI）
作者单位Chinese Acad Sci, Inst Engn Thermophys, Beijing 100080, Peoples R China
推荐引用方式
GB/T 7714		 Liang, SQ,Xu, JZ. Methanol adsorption studies of electrified ACF by MD simulations[J]. SCIENCE IN CHINA SERIES E-ENGINEERING & MATERIALS SCIENCE,2004,47(6):667-675.
APA Liang, SQ,&Xu, JZ.(2004).Methanol adsorption studies of electrified ACF by MD simulations.SCIENCE IN CHINA SERIES E-ENGINEERING & MATERIALS SCIENCE,47(6),667-675.
MLA Liang, SQ,et al."Methanol adsorption studies of electrified ACF by MD simulations".SCIENCE IN CHINA SERIES E-ENGINEERING & MATERIALS SCIENCE 47.6(2004):667-675.

入库方式： OAI收割

来源：工程热物理研究所

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