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

被引：6

作者：

BANDYOPADHYAY, S

YASHONATH, S

机构：

[1] INDIAN INST SCI,SOLID STATE & STRUCT CHEM UNIT,BANGALORE 560012,KARNATAKA,INDIA

[2] INDIAN INST SCI,CTR SUPERCOMP EDUC & RES,BANGALORE 560012,KARNATAKA,INDIA

来源：

JOURNAL OF SOLID STATE CHEMISTRY | 1994年 / 111卷 / 01期

关键词：

D O I：

10.1006/jssc.1994.1211

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

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.

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页码：151 / 156

页数：6

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