Modelling studies of water in crystalline nanoporous aluminosilicates

被引：50

作者：

Bougeard, Daniel

Smirnov, Konstantin S.

机构：

[1] Univ Sci & Technol Lille, Lab Spectrochim Infrarouge & Raman, CNRS, UMR 8516, F-59655 Villeneuve Dascq, France

[2] CNRS, Deutschland Buro, Wissenschaftzentrum, D-53144 Bonn, Germany

来源：

PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 2007年 / 9卷 / 02期

关键词：

D O I：

10.1039/b614463m

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 paper presents a review of molecular modelling studies of hydrated nanoporous aluminosilicates (zeolites and clays) performed during the last decade. A special emphasis is set on the calculation of the dynamical quantities and collective properties of the confined water. Some new results concerning the behaviour of water molecules in the siliceous silicalite and zeolite beta structures are presented.

引用

页码：226 / 245

页数：20

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