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• W2013513062 abstract "Molecular dynamics of SF6 in small cylindrical pores in amorphous silica is studied by computer simulations. The solid is represented by an atomic model that takes into account microscopic structure of the surface. Adsorbent is modeled as an assembly of six Lennard-Jones potentials. Rotational and translational correlation functions are calculated and discussed in terms of temperature, density, pore diameter, and surface potential. Changes in the motion along the pore axis and pore radius are analyzed. It is shown that surface interactions determine translational and rotational diffusion of molecules in the monolayer, but at distances greater than two molecular diameters, the dynamics can be compared to that in the bulk liquid." @default.
• W2013513062 created "2016-06-24" @default.
• W2013513062 creator A5046668676 @default.
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• W2013513062 date "1991-09-01" @default.
• W2013513062 modified "2023-10-16" @default.
• W2013513062 title "Molecular dynamics of SF6 in porous silica" @default.
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• W2013513062 doi "https://doi.org/10.1063/1.461778" @default.
• W2013513062 hasPublicationYear "1991" @default.
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