SORBATE PROPERTIES OF XENON IN CLOVERITE - A MOLECULAR-DYNAMICS STUDY

Authors
BANDYOPADHYAY S YASHONATH S
Citation
S. Bandyopadhyay et S. Yashonath, SORBATE PROPERTIES OF XENON IN CLOVERITE - A MOLECULAR-DYNAMICS STUDY, Journal of solid state chemistry, 111(1), 1994, pp. 151-156
Citations number
12
Categorie Soggetti
Chemistry Inorganic & Nuclear","Chemistry Physical
Journal title
Journal of solid state chemistry → ACNP
ISSN journal
00224596
Volume
111
Issue
1
Year of publication
1994
Pages
151 - 156
Database
ISI
SICI code
0022-4596(1994)111:1<151:SPOXIC>2.0.ZU;2-0
Abstract
Molecular dynamics calculations on xenon adsorbed in the cubic cavity of cloverite, a gallophosphate, is presented. Guest-host radial distri bution functions, guest-host energy distribution functions, power spec tra, and diffusion coefficients for xenon are reported at 397, 494, an d 716 K. Results suggest that xenon is highly mobile at 700 K. A shift in the peak position of the power spectra toward lower frequency is o bserved with increase in temperature. (C) 1994 Academic Press, Inc.