Grand canonical Monte Carlo investigation of water adsorption in heulandite-type zeolites

被引：20

作者：

Channon, YM

Catlow, CRA

Gorman, AM

Jackson, RA

机构：

[1] UCL Royal Inst Great Britain, Davy Faraday Res Lab, London W1X 4BS, England

[2] Mol Simulat Inc, San Diego, CA 92121 USA

[3] Univ Keele, Dept Chem, Keele ST5 5BG, Staffs, England

来源：

JOURNAL OF PHYSICAL CHEMISTRY B | 1998年 / 102卷 / 21期

关键词：

D O I：

10.1021/jp980483h

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 grand canonical Monte Carlo technique has been employed to investigate the sorption sites of water molecules in heulandite-type zeolites. The results obtained reveal low-energy regions for the adsorption of water and provide detailed models for the interactions between the water molecules, extraframework cations, and the framework.

引用

收藏

页码：4045 / 4048

页数：4

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