DIFFUSION IN ZEOLITES - ANOMALOUS DEPENDENCE ON SORBATE DIAMETER

被引：44

作者：

YASHONATH, S ^{[1
]}

SANTIKARY, P ^{[1
]}

机构：

[1] INDIAN INST SCI,SUPERCOMP EDUC & RES CTR,BANGALORE 560012,KARNATAKA,INDIA

来源：

JOURNAL OF CHEMICAL PHYSICS | 1994年 / 100卷 / 05期

关键词：

D O I：

10.1063/1.466336

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Molecular dynamics calculations on sorbate atoms of varying diameters in zeolites A and Y are reported. Rates of cage-to-cage diffusions, rate of cage visits, and diffusion coefficients show unexpected behavior. A generalized parameter has been defined that exhibit a peak in diffusion coefficient around 0.84 for both the zeolites investigated.

引用

页码：4013 / 4016

页数：4

共 17 条

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