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Anomalous behaviour of cage-to-cage diffusion of methane in zeolites A and Y

✍ Scribed by Sanjoy Bandyopadhyay; Subramanian Yashonath

Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
586 KB
Volume
223
Category
Article
ISSN
0009-2614

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A Molecular Dynamic Investigation of the
A Molecular Dynamic Investigation of the Diffusion of Methane-Ethane and Methane-Propane Mixtures in Zeolites
✍ R. Krishna; J. M. van Baten πŸ“‚ Article πŸ“… 2006 πŸ› John Wiley and Sons 🌐 English βš– 446 KB πŸ‘ 1 views

## Abstract Molecular Dynamic (MD) simulations were carried out to determine the Maxwell‐Stefan (M‐S) diffusivities, Đ~i~, and self‐diffusivities, __D__~i,self~, of methane (C1), ethane (C2), and propane (C3) for a variety of molecular loadings, __q__~i~, in three classes of zeolite topologies: (1)