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Mobility of Aromatic Molecules in Zeolite NaY by Molecular Dynamics Simulation

✍ Scribed by Klein, Harald; Fuess, Hartmut; Schrimpf, Gerhard

Book ID
121217969
Publisher
American Chemical Society
Year
1996
Tongue
English
Weight
833 KB
Volume
100
Category
Article
ISSN
0022-3654

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πŸ“œ SIMILAR VOLUMES

A molecular dynamics study of methane in
A molecular dynamics study of methane in zeolite NaY
✍ Subramanian Yashonath; Pierfranco Demontis; Michael L. Klein πŸ“‚ Article πŸ“… 1988 πŸ› Elsevier Science 🌐 English βš– 433 KB

Molecular dynamics calculations have been used to investigate theeffect of temperature on the mobility of methane in faujasite. At room temperature, methane molecules reside mostly in the vicinity of the supercage walls. Migration between supercages of the zeolite structure occurs predominantly via