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Diffusion of a para- and ortho-xylene mixture in CIT-1 zeolite: a molecular dynamics study

✍ Scribed by German Sastre; Avelino Corma; C. Richard A. Catlow

Book ID
110386010
Publisher
Springer
Year
1999
Tongue
English
Weight
249 KB
Volume
9
Category
Article
ISSN
1022-5528

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## 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)