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Computer simulation study on isomorphously substituted silicalites

โœ Scribed by Konstantin S. Smirnov; Marina V. Kudryashova


Book ID
103966557
Publisher
Elsevier Science
Year
1995
Tongue
English
Weight
533 KB
Volume
5
Category
Article
ISSN
0927-6513

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Computer simulation study of methane in
โœ Konstantin S. Smirnov ๐Ÿ“‚ Article ๐Ÿ“… 1994 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 670 KB

Characteristics of methane in silicalite were studied by a molecular dynamics technique. The model used takes all degrees of freedom of adsorbate molecules into account, while the zeolite framework was either rigid or flexible, The calculated heat of adsorption, diffusion coeffkient, and spectral ch