Dynamics Studies on Molecular Diffusion in Zeolites

Dynamics Studies on Molecular Diffusion in Zeolites

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摘要 A review about the applications of molecular dynamics(MD)simulation in zeolites is presented. MD simulation has been proved to be a useful tool due to its applications in this field for the recent two decades. The fundamental theory of MD is introduced and the hydrocarbon diffusion in zeolites is mainly focused on in this paper.

作者王秋霞樊建芬肖鹤鸣

机构地区 Department of Chemistry Department of Chemistry

出处《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 2003年第4期403-410,共8页 结构化学（英文）

基金 the National Natural Science Foundation of China (No. 29773021) Provisional Education Foundation of Jiangsu (No. 98KJB15001)

关键词 molecular dynamics ZEOLITE molecular diffusion 分子动力学分子扩散沸石模拟模型

分类号 TQ424.25 [化学工程] O641.1 [理学—物理化学]

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Chinese Journal of Structural Chemistry

2003年第4期

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Dynamics Studies on Molecular Diffusion in Zeolites

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