Distribution functions and average {sup 129}Xe chemical shifts of Xe in zeolites CaA and NaX
- Univ. of Illinois, Chicago, IL (United States)
- Loyola Univ., Chicago, IL (United States)
The single Xe NMR peak arising from the Xe atoms in the intrazeolite cavities is a dynamic average of the chemical shielding experienced by a {sup 129}Xe nucleus under fast exchange, that is, while visiting many cages with various Xe occupancies. The change of this average chemical shift with loading and temperature is a signature of the zeolite and provides a test of computer simulations. The same Grand Canonical Monte Carlo simulations which reproduce the observed distributions of cages containing 0,1, 2, ..., 8 Xe in zeolites CaA and NaX. The Xe adsorption isotherms in these zeolites are also obtained. Together these provide a stringent test of the simulations. The xenon one-body distribution in these zeolites and the Xe-Xe pair distribution functions which determine the Xe chemical shifts will be shown.
- OSTI ID:
- 141460
- Report Number(s):
- CONF-930304-; TRN: 93:003688-1137
- Resource Relation:
- Conference: 205. American Chemical Society national meeting, Denver, CO (United States), 28 Mar - 2 Apr 1993; Other Information: PBD: 1993; Related Information: Is Part Of 205th ACS national meeting; PB: 1951 p.
- Country of Publication:
- United States
- Language:
- English
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