Ising model of diffusion in molecular sieves

被引：60

作者：

Saravanan, C

Jousse, F

Auerbach, SM ^{[1
]}

机构：

[1] Univ Massachusetts, Dept Chem, Amherst, MA 01003 USA

[2] Univ Massachusetts, Dept Chem Engn, Amherst, MA 01003 USA

来源：

PHYSICAL REVIEW LETTERS | 1998年 / 80卷 / 26期

关键词：

D O I：

10.1103/PhysRevLett.80.5754

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

We have developed a new analytical theory for activated diffusion in zeolites at finite loadings, including the effect of adsorbate-adsorbate interactions. Excellent qualitative agreement is obtained comparing our new theory to kinetic Monte Carlo simulations. We have applied this theory to benzene diffusion in faujasite, to help resolve discrepancies among different experiments. Our results are in qualitative agreement with pulsed field gradient NMR, and in qualitative disagreement with tracer zero-length column data.

引用

页码：5754 / 5757

页数：4

共 21 条

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