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A molecular dynamics study of methane in zeolite NaY

✍ Scribed by Subramanian Yashonath; Pierfranco Demontis; Michael L. Klein

Publisher
Elsevier Science
Year
1988
Tongue
English
Weight
433 KB
Volume
153
Category
Article
ISSN
0009-2614

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✦ Synopsis

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 surface diffusion.

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