Computer modeling of pore space in zeolites

被引：21

作者：

Nagy, TF ^{[1
]}

Mahanti, SD ^{[1
]}

Dye, JL ^{[1
]}

机构：

[1] MICHIGAN STATE UNIV, DEPT PHYS, E LANSING, MI 48824 USA

来源：

ZEOLITES | 1997年 / 19卷 / 01期

关键词：

D O I：

10.1016/S0144-2449(97)00047-X

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：

A simple and efficient method is presented here to visualize empty regions-cavities and channels-in zeolites by using computers. With the help of these visualization programs one can learn more about the geometry of the pore structure of these periodic microporous solids. important physical parameters such as cavity sizes and channel connectivities can also be determined during the process. By using statistical analysis additional information can be obtained about the porosity of these systems. (C) Elsevier Science Inc. 1997.

引用

页码：57 / 64

页数：8

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