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Prediction of adsorption of xenon in zeolite NaA with molecular density functional theory

✍ Scribed by Martha C. Mitchell; Alon V. McCormick; H. Ted Davis

Book ID
112512731
Publisher
Springer
Year
1995
Tongue
English
Weight
759 KB
Volume
97
Category
Article
ISSN
1434-6036

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Adsorption of xenon in zeolite Y: a mole
Adsorption of xenon in zeolite Y: a molecular dynamics study
✍ S. Yashonath πŸ“‚ Article πŸ“… 1991 πŸ› Elsevier Science 🌐 English βš– 399 KB

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. Th