Adsorption selectivity of benzene/propene mixtures for various zeolites

被引：35

作者：

Ban, Shuai ^{[1
]}

Van Laak, Adri ^{[1
]}

De Jongh, Petra E. ^{[1
]}

Van der Eerden, Jan P. J. M. ^{[1
]}

Vlugt, Thijs J. H. ^{[1
]}

机构：

[1] Univ Utrecht, Dept Chem, NL-3508 TA Utrecht, Netherlands

来源：

JOURNAL OF PHYSICAL CHEMISTRY C | 2007年 / 111卷 / 46期

关键词：

D O I：

10.1021/jp074918p

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 nine-site benzene model of Zhao et al. (J. Phys. Chem. B 2005, 109, 5368-5374) has been used to systematically study the adsorption of benzene, propene, and benzene-propene mixtures in zeolites mordenite, Y, beta, silicalite, and MCM22. Interaction parameters for the benzene-zeolite interaction's have been fitted to available adsorption experiments from literature. As an independent check of our force field, we have performed additional adsorption experiments using the TEOM technique and excellent agreement between simulations and TEOM experiments was found. High adsorption selectivities for benzene in benzene-propene mixtures were found in all zeolites, except for silicalite.

引用

页码：17241 / 17248

页数：8

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