A molecular dynamics calculation of a realistic model of xenon adsorprion in sodium-Y zeolite is reported. The equilibrium properties such as the energy distribution function, the centre-of-cage-centre-of-mass radial distribution function, and the cageoccupancy distribution function are obtained. Th
NMR study of xenon dynamics and energetics in Na—A zeolite
✍ Scribed by R.G. Larsen; J. Shore; K. Schmidt-Rohr; L. Emsley; H. Long; A. Pines; M. Janicke; B.F. Chmelka
- Publisher
- Elsevier Science
- Year
- 1993
- Tongue
- English
- Weight
- 616 KB
- Volume
- 214
- Category
- Article
- ISSN
- 0009-2614
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✦ Synopsis
For xenon atoms adsorbed in Na-A xeolite, electronic interactions cause shifts in NMR frequencies, resulting in a spectrum with discrete peaks from xenon atoms in cages with different xenon occupancies. Using two-dimensional exchange NMR, it is possible to determine the microscopic rates of intercage motion and to relate them to the adsorption and activation energies of the xenon atoms. The dependence of the adsorption energies on xenon cage occupancy reflects the importance of the intracage interactions and is directly related to the cage occupancy distribution. Variable temperature measurements yield an activation energy of about 60 kJ/mol for the transfer of a xenon from one cage to another.
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