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 肖鶴鳴   作者單位： 王秋霞,樊建芬(Department of Chemistry, Suzhou University, Suzhou, Jiangsu 215006, China)

肖鶴鳴(Department of Chemistry, Nanjing University of Science and Technology, Nanjing, Jiangsu 210094, China) 

刊 名： 結(jié)構(gòu)化學  ISTIC SCI PKU 英文刊名： CHINESE JOURNAL OF STRUCTURAL CHEMISTRY  年，卷(期)： 2003 22(4)  分類號： O64  關(guān)鍵詞： molecular dynamics   zeolite   molecular diffusion  

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