A COMPUTER SIMULATION OF THE ADSORPTION AND DIFFUSION OF BENZENE AND TOLUENE IN THE ZEOLITES THETA-1 AND SILICALITE

被引：46

作者：

Nowak, A. K. ^{[1
]}

Cheetham, A. K. ^{[1
]}

Pickett, S. D. ^{[1
]}

Ramdas, S. ^{[2
]}

机构：

[1] Univ Oxford, Chem Crystallog Lab, Oxford OX1 3PD, England

[2] BP Res Ctr, Sunbury On Thames TW16 7LN, England

来源：

MOLECULAR SIMULATION | 1987年 / 1卷 / 1-2期

关键词：

Zeolite; benzene; toluene; interaction energy; heat of adsorption; activation energy of diffusion;

D O I：

10.1080/08927028708080931

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：

The influence of the framework geometries of zeolites on the adsorption and diffusion of benzene and toluene molecules has been studied through computer simulations. The behaviours of the uni- and bi-dimensional pore zeolites, theta-I and silicalite, respectively, have been compared.

引用

页码：67 / 77

页数：11

共 13 条

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