Xe{sub n} clusters in the alpha cages of zeolite KA.
We have observed the individual signals of the Xe{sub n} clusters (n=1-5) trapped in the alpha cages of zeolite KA. The {sup 129}Xe NMR chemical shift of each cluster in zeolite KA is larger than that of the corresponding Xe{sub n} cluster in zeolite NaA. The temperature dependence of the chemical shifts of the clusters vary systematically with cluster size as they do in NaA, but the change of the temperature coefficients with n is somewhat more pronounced for Xe{sub n} in the cages of KA than in NaA. The Xe{sub n} chemical shifts and their variation with temperature are reproduced by the grand canonical Monte Carlo (GCMC) simulations. GCMC simulations of the distribution of the Xe atoms among the alpha cages in KA provide the fractions of cages containing n Xe atoms which agree reasonably well with the observed equilibrium distributions. The characteristics of Xe distribution and chemical shifts in KA are compared with that in NaA.
- Research Organization:
- Argonne National Laboratory (ANL)
- Sponsoring Organization:
- NSF
- DOE Contract Number:
- AC02-06CH11357
- OSTI ID:
- 943248
- Report Number(s):
- ANL/CMT/JA-38608
- Journal Information:
- J. Chem. Phys., Journal Name: J. Chem. Phys. Journal Issue: 20 ; Nov. 22, 1995 Vol. 103; ISSN JCPSA6; ISSN 0021-9606
- Country of Publication:
- United States
- Language:
- ENGLISH
Similar Records
{sup 129}Xe nuclear magnetic resonance studies of xenon in zeolite CaA.
Understanding intermolecular NMR chemical shifts. Application to competitive adsorption in zeolites