SIMULATING NONFRAMEWORK CATION LOCATION IN ALUMINOSILICATE ZEOLITES

Authors
NEWSAM JM FREEMAN CM GORMAN AM VESSAL B
Citation
Jm. Newsam et al., SIMULATING NONFRAMEWORK CATION LOCATION IN ALUMINOSILICATE ZEOLITES, Chemical communications, (16), 1996, pp. 1945-1946
Citations number
16
Categorie Soggetti
Chemistry
Journal title
Chemical communications → ACNP
ISSN journal
13597345
Issue
16
Year of publication
1996
Pages
1945 - 1946
Database
ISI
SICI code
1359-7345(1996):16<1945:SNCLIA>2.0.ZU;2-R
Abstract
The non-framework cation positions for Li+ in dehydrated zeolite Li-A( BW) and for Na+ in zeolite 4A are simulated by a straightforward combi nation of Monte Carlo and structure optimization techniques, using onl y a framework structure model and appropriate interatomic potentials.