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- W52069246 abstract "Abstract Molecular dynamics computer simulations of the sorption of krypton at 100 K in three model pores are reported. The averaged energies and the local densities of the sorbed atoms were evaluated as functions of the pore loadings. The pores were cylindrical, with radii that varied sinusoidally along their lengths. In addition, the atomic structure of the pore walls was explicitly taken into account. It is demonstrated that both the monolayer adsorption and the condensation of atoms into the central pore volumes begins long before the monolayer is complete in the constricted regions of the pores. Because of surface heterogeneity in these pores, condensation occurs not as a sharp transition but rather as a minor anomaly in the average Kr-Kr energy." @default.
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- W52069246 date "1994-01-01" @default.
- W52069246 modified "2023-09-27" @default.
- W52069246 title "Simulations of Sorption in Pores With Constrictions" @default.
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- W52069246 doi "https://doi.org/10.1016/s0167-2991(08)63060-8" @default.
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