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Diffusion of Methanol in Zeolite NaY: A Molecular Dynamics Study

✍ Scribed by Plant, David F.; Maurin, Guillaume; Bell, Robert G.

Book ID
121218624
Publisher
American Chemical Society
Year
2007
Tongue
English
Weight
299 KB
Volume
111
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

Diffusion behaviour of binary mixtures i
Diffusion behaviour of binary mixtures in restricted regions of zeolite NaY from molecular dynamics calculations
✍ R. Chitra; S. Yashonath πŸ“‚ Article πŸ“… 1995 πŸ› Elsevier Science 🌐 English βš– 314 KB

Diffusion coefficients D 1 and D 2 of a binary mixture of adsorbates of diameters 0-1 and 0-2 in the restricted regions of zeolite NaY have been obtained from molecular dynamics simulations. The results suggest that the ratio of the diffusion coefficients ff = D1/D 2 exhibit unusual behaviour with a