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Influence of non-geometrical factors on intracrystalline diffusion

 

作者: Subramanian Yashonath,   P. Santikary,  

 

期刊: Molecular Physics  (Taylor Available online 1993)
卷期: Volume 78, issue 1  

页码: 1-6

 

ISSN:0026-8976

 

年代: 1993

 

DOI:10.1080/00268979300100011

 

出版商: Taylor & Francis Group

 

数据来源: Taylor

 

摘要:

Molecular dynamics simulations on Xe in NaY and Ar in NaCaA zeolite are reported. Rates of cage-to-cage crossovers in the two zeolites exhibit trends which are contrary to that expected from geometrical considerations. The results suggest the important role of the sorbate-zeolite interactions in determining the molecular sieve properties of zeolites for small sized sorbates. The results are explained in terms of the barrier height for cage-to-cage crossover in the two zeolites.

 

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