Understanding diffusion in nanoporous materials

摘要：

Can we predict the diffusion behavior of molecules in confinement by looking at the match between the molecule and the structure of the confinement? This question has proven difficult to answer for many decades. As a case study, we use methane and a simple model of ellipsoids to arrive at a molecular picture that allows us to make a classification of pore topologies and to explain their diffusion behavior as a function of loading. Our model is surprisingly simple: regarding a structure as consisting of interconnected ellipsoids is enough to understand the full loading dependence.

作者: E. Beerdsen B. Smit

作者单位: University of Amsterdam, Van t Hoff Institute for Molecular Sciences, Nieuwe Achtergracht 166,1018 WV Amsterdam, The Netherlands

会议类型: 国际会议

会议名称: 第15届国际分子筛大会

会议地点: 北京

会议语种:英文

在线出版日期: 2007-08-12（万方平台首次上网日期，不代表论文的发表时间）