GRAND-CANONICAL MONTE-CARLO INVESTIGATION OF WATER-ADSORPTION IN HEULANDITE-TYPE ZEOLITES

Authors
CHANNON YM CATLOW CRA GORMAN AM JACKSON RA
Citation
Ym. Channon et al., GRAND-CANONICAL MONTE-CARLO INVESTIGATION OF WATER-ADSORPTION IN HEULANDITE-TYPE ZEOLITES, JOURNAL OF PHYSICAL CHEMISTRY B, 102(21), 1998, pp. 4045-4048
Citations number
19
Categorie Soggetti
Chemistry Physical
Journal title
JOURNAL OF PHYSICAL CHEMISTRY B
ISSN journal
15206106 → ACNP
Volume
102
Issue
21
Year of publication
1998
Pages
4045 - 4048
Database
ISI
SICI code
1089-5647(1998)102:21<4045:GMIOWI>2.0.ZU;2-9
Abstract
The grand canonical Monte Carlo technique has been employed to investi gate 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 wa ter molecules, extraframework cations, and the framework.