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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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|
|Additional Information:||Copyright of this article belongs to Elsevier science.|
|Department/Centre:||Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Division of Information Sciences > Supercomputer Education & Research Centre
|Date Deposited:||13 Apr 2011 08:43|
|Last Modified:||13 Apr 2011 08:43|
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