Bandyopadhyay, Sanjoy and Yashonath, Subramanian (1994) Sorbate properties of xenon in cloverite: A molecular dynamics study. In: Journal of Solid State Chemistry, 111 (1). pp. 151-156.
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Official URL: http://dx.doi.org/10.1006/jssc.1994.1211
Abstract
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 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 observed with increase in temperature. (C) 1994 Academic Press, Inc.
Item Type: | Journal Article |
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Publication: | Journal of Solid State Chemistry |
Publisher: | Elsevier science |
Additional Information: | Copyright of this article belongs to Elsevier science. |
Department/Centre: | Division of Chemical Sciences > Solid State & Structural Chemistry Unit Division of Interdisciplinary Sciences > Supercomputer Education & Research Centre |
Date Deposited: | 13 Apr 2011 08:43 |
Last Modified: | 13 Apr 2011 08:43 |
URI: | http://eprints.iisc.ac.in/id/eprint/36816 |
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