%A YANG Xiao-Feng; QIN Zhang-Feng; WANG Jian-Guo
%T A Random Walk Model for Molecular Anisotropic Diffusion in Siliceous *β*-Zeolites
%0 Journal Article
%D 2008
%J Acta Phys. -Chim. Sin.
%R 10.3866/PKU.WHXB20081132
%P 2128-2132
%V 24
%N 11
%U {http://www.whxb.pku.edu.cn/CN/abstract/article_21427.shtml}
%8 2008-11-10
%X A model of molecules diffusion in β-zeolite was proposed by assuming that the movement of molecules was a random walk on different adsorption sites. Owing to the topological structures and differences of transition probabilities between adsorption sites through two type of pores, there existed a correlation between diffusion coefficients along two principal axes, which was proved by molecular dynamics simulation of benzene diffusion in β zeolite at different temperatures. The diffusions of argon with different interaction radii showed that the interaction radius was crucial to the fitness of the randomwalk model; the interaction radius must be large enough (near the size of zeolite pores).