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A molecular dynamics study of methane encapsulated in dodecasil 3C

✍ Scribed by DUMONT, D.; BOUGEARD, D.


Book ID
121188082
Publisher
Taylor and Francis Group
Year
1997
Tongue
English
Weight
283 KB
Volume
91
Category
Article
ISSN
0026-8976

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A molecular dynamics study of methane in
✍ 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