Dynamics Studies on Molecular Diffus

Dynamics Studies on Molecular Diffusion in Zeolites

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   作者单位： 王秋霞,樊建芬(Department of Chemistry, Suzhou University, Suzhou, Jiangsu 215006, China)

肖鹤鸣(Department of Chemistry, Nanjing University of Science and Technology, Nanjing, Jiangsu 210094, China) 

刊 名： 结构化学  ISTIC SCI PKU 英文刊名： CHINESE JOURNAL OF STRUCTURAL CHEMISTRY  年，卷(期)： 2003 22(4)  分类号： O64  关键词： molecular dynamics   zeolite   molecular diffusion  

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