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6919950 
Journal Article 
A Random Walk Model for Molecular Anisotropic Diffusion in Siliceous beta-Zeolites 
Yang Xiao-Feng; Qin Zhang-Feng; Wang Jian-Guo; , 
2008 
Yes 
Acta Physico - Chimica Sinica
ISSN: 1000-6818 
PEKING UNIV PRESS 
BEIJING 
2128-2132 
WOS:000261204000032 
A model of molecules diffusion in beta-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,8 zeolite at different temperatures. The diffusions of argon with different interaction radii showed that the interaction radius was crucial to the fitness of the random walk model; the interaction radius must be large enough (near the size of zeolite pores).