Comparison of Ethene Diffusion Characteristics in H[Al]ZSM-5 at 300 K and 400 K by Molecular Dynamics

• 来源期刊: 中国化学（英文版）
• 学科: 化学
• 年，卷（期）: 2001,（3）
• 页码范围: 251-256
• 页数: 6页
• 分类号: O6
• 语种: 英文

摘要

H[Al]ZSM-5 at 300 K and 400 K have been studied by molecular dynamics (MD) simulation. The data have ben obtained for the molecular kinetic,potential and total energies, mean square displacement and self-diffusion coefficient,interaction and heat of adsorption.The dependence of molecular diffusion on temperature has ben explored.