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Adsorption of xenon in zeolite Y: a molecular dynamics study

✍ Scribed by S. Yashonath

Publisher
Elsevier Science
Year
1991
Tongue
English
Weight
399 KB
Volume
177
Category
Article
ISSN
0009-2614

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✦ Synopsis

A molecular dynamics calculation of a realistic model of xenon adsorprion in sodium-Y zeolite is reported. The equilibrium properties such as the energy distribution function, the centre-of-cage-centre-of-mass radial distribution function, and the cageoccupancy distribution function are obtained. The results are in reasonable agreement with those of earlier calculations. The dynamics is significantly slower than that observed for other small organic molecules. Xenon exhibits anisotropic motion in the large cavity.

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