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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