Modelling studies of water in crystalline nanoporous aluminosilicates.
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.
Bougeard
Daniel
D
Laboratoire de Spectrochimie Infrarouge et Raman, UMR 8516 CNRS-USTL, Bât. C5, Université des Sciences et Technologies de Lille, 59655, Villeneuve d'Ascq Cédex, France. Daniel.Bougeard@cnrs.de
Smirnov
Konstantin S
KS