SIMULATING THE ADSORPTION-ISOTHERMS OF METHANE, ETHANE, AND PROPANE IN THE ZEOLITE SILICALITE

被引：118

作者：

SMIT, B

机构：

[1] Shell Research B.V., Koninklijke/Shell-Laboratorium, Amsterdam, 1030 BN Amsterdam

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1995年 / 99卷 / 15期

关键词：

D O I：

10.1021/j100015a050

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：

Computer simulations are used to simulate the adsorption isotherms of methane, ethane, and propane in the zeolite silicalite. Various zeolite-alkane models have been tested via a comparison with experimental heats of adsorption and Henry coefficients. These tests are used to improve the existing models. It is shown that the calculated adsorption isotherms agree well. with the available experimental data. However, a definitive validation of the models is impeded by the large scatter of reported experimental data.

引用

页码：5597 / 5603

页数：7