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• W43521141 abstract "Abstract A one-dimensional sequence of spheres and cylinders is used as a model to elucidate the effects of geometry on micropore adsorption and diffusion. The model consists of cylindrical sections having a radius of two molecular diameters and length L , fused into spheres of radius R , and length A which is a function of R s . Molecular dynamics simulations were carried out with 12-6 molecules using interaction parameters similar to those for krypton inside a zeolite cavity. Results are reported for density profiles and diffusion coefficients for various ratios of sphere to cylinder radius and sphere to cylinder length at T * = 1.5, and mean densities of 0.4 and 0.82. It is shown that the diffusion results can be interpreted in terms of density variations within the model obtained from the density profiles." @default.
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• W43521141 date "1993-01-01" @default.
• W43521141 modified "2023-09-27" @default.
• W43521141 title "A Molecular Dynamics Study of Adsorption and Transport of Fluid in Model Micropores" @default.
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• W43521141 doi "https://doi.org/10.1016/s0167-2991(08)63508-9" @default.
• W43521141 hasPublicationYear "1993" @default.
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