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A molecular dynamics study of diffusion of methane in silicalite molecular sieve at high dilution

✍ Scribed by P. Demontis; G.B. Suffritti; P. Mura

Publisher
Elsevier Science
Year
1992
Tongue
English
Weight
606 KB
Volume
191
Category
Article
ISSN
0009-2614

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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)