| Adsorption of Benzene and Propylene in Zeolite ZSM-5： Grand Canonical Monte Carlo Simulations |
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| 作者单位： | SUN Xiao-yan,LI Jian-wei,LI Ying-xia,CHEN Biao-hua(State Key Laboratory of Chemical Resource Engineering, Beijing University of Chemical Technology, Beijing 100029, P. R. China);YAN Shi-cheng(Jilin Vocational College of Industry and Technology, Jilin 132000, P. R. China) |
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| 基金项目： | Supported by the National Natural Science Foundation of China(Nos.20576012 and 20625621) |
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| 摘 要： |
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| 关 键 词： | 巨正则Monte 吸附行为 分子筛 ZSM 丙烯 模拟 苯 能量分布 |
Adsorption of Benzene and Propylene in Zeolite ZSM-5:Grand Canonical Monte Carlo Simulations |
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| Authors: | SUN Xiao-yan LI Jian-wei LI Ying-xia YAN Shi-cheng CHEN Biao-hua State Key Laboratory of Chemical Resource Engineering Beijing University of Chemical Technology Beijing P R China Jilin Vocational College of Industry Technology Jilin |
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| Institution: | [1]State Key Laboratory of Chemical Resource Engineering, Beijing University of Chemical Technology, Beijing 100029, P. R. China [2]Jilin Vocational College of lndustry and Technology, Jilin 132000, P. R. China |
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| Abstract: | The adsorption behavior of benzene and propylene in zeolite ZSM-5 was studied by Grand Canonical Monte Carlo(GCMC) simulations. It could be found that benzene and propylene molecules showed different adsorption behavior in the zeolite cavities. The loadings of propylene were significantly larger than those of benzene at 100 kPa. From the figures of potential energy distribution,the potential energy of benzene/zeolite was more negative than that of propylene/zeolite,so benzene could be adsorbed more stably t... |
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| Keywords: | ZSM-5 zeolite Adsorption Grand canonical monte carlo |
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