Theoretical study of the site selectivity of the zeolite cation. I. Site selectivities of alkali and alkaline earth metal cations in zeolite A
- Hidaka High School, Japan
A theoretical interpretation is given for the site selectivities of the exchangeable alkali and alkaline-earth metal cations in zeolite A. Zeolite A was divided into two structures, ionic and covalent. The cation-lattice interaction energies consisting of the electrostatic, polariz1ation, dispersion, repulsion, and charge transfer energies were calculated for the cations at the six- and eight-membered oxygen ring sites in a simplified model of zeolite A structure. As a result, the site selectivities determined for cations were as follows: Li/sup +/, Na/sup +/, Ca/sup 2 +/, and Sr/sup 2 +/ ions prefer the six-membered oxygen ring site, whereas K/sup +/, Cs/sup +/, and Ba/sup 2 +/ ions prefer the eight-membered oxygen ring site. These results are in good agreement with those obtained experimentally. It was concluded that this theoretical method would have considerable use in the determination and understanding of the cation sites and adsorption characteristics of zeolite A and possibly zeolites X and Y.
- OSTI ID:
- 6626373
- Journal Information:
- J. Phys. Chem.; (United States), Vol. 82:14
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
BARIUM
ION EXCHANGE
SEPARATION PROCESSES
CALCIUM
CESIUM
LITHIUM
POTASSIUM
SODIUM
STRONTIUM
ZEOLITES
SORPTIVE PROPERTIES
ALKALI METALS
ALKALINE EARTH METALS
ELEMENTS
INORGANIC ION EXCHANGERS
ION EXCHANGE MATERIALS
METALS
MINERALS
SURFACE PROPERTIES
400105* - Separation Procedures