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Diffusivity of hydrogen and methane molecules in A zeolites: Neutron scattering measurements and comparison

✍ Scribed by Evelyn Cohen De Lara; Remi Kahn

Publisher
Elsevier Science
Year
1992
Tongue
English
Weight
344 KB
Volume
12
Category
Article
ISSN
0144-2449

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✦ Synopsis

The application of neutron scattering to the measurement of intracrystalline diffusivities is reviewed. Experiments on H2, HD, and CH4 in A zeolites have shown that the diffusion process is well approximated by jump models. For the smallest molecules (H2 and HD and NaA), the jumps are isotropically distributed and the jump lengths depend on the molecular mass. For methane in NaA and CaNaA, the jumps are oriented by the framework of the zeolite. The diffusion coefficients show the influence of the molecule size with respect to the window aperture of cavities.

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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)