Simulating non-framework cation location in aluminosilicate zeolites
- 1 January 1996
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Chemical Communications
- No. 16,p. 1945-1946
- https://doi.org/10.1039/cc9960001945
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 combination of Monte Carlo and structure optimization techniques, using only a framework structure model and appropriate interatomic potentials.Keywords
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