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A Numerical Evidence for Nonframework Cation Redistribution Upon Water Adsorption in Faujasite Zeolite
Author(s) -
Beauvais Christèle,
Boutin Anne,
Fuchs Alain H.
Publication year - 2004
Publication title -
chemphyschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.200400195
Subject(s) - faujasite , redistribution (election) , zeolite , chemistry , adsorption , inorganic chemistry , catalysis , organic chemistry , politics , political science , law
Trace amounts of water are sufficient to produce cation redistribution in zeolites. Monte Carlo simulations of zeolite faujasite NaY reveal a spontaneous redistribution of site‐I and site‐I′ cations upon water adsorption. When aromatics are coadsorbed in the zeolite, cation redistribution takes place for a very small amount of water (full dots in the figure).
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