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Sorbate Properties of Xenon in Cloverite: A Molecular Dynamics Study

✍ Scribed by Sanjoy Bandyopadhyay; Subramanian Yashonath

Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
246 KB
Volume
111
Category
Article
ISSN
0022-4596

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✦ Synopsis

Molecular dynamics calculations on xenon adsorbed in the cubic cavity of cloverite, a gallophosphate, is presented. Guest-host radial distribution functions, guest-host energy distribution functions, power spectra, and diffusion coefficients for xenon are reported at 397, 494, and (716 \mathrm{~K}). Results suggest that xenon is highly mobile at (700 \mathrm{~K}). A shift in the peak position of the power spectra toward lower frequency is observed with increase in temperature. O 1994 Academic Press, Inc.

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