The structure of fluids confined in crystalline slitlike nanoscopic pores.
Grand canonical and canonical ensemble Monte Carlo simulation methods are used to study the structure and phase behavior of Lennard-Jones fluids confined between the parallel (100) planes of the face centered cubic crystal. Thin slit pores with a width allowing for the formation of only up to five atomic layers are considered. The phase diagrams of the systems characterized by different pore width as well as by different strength of the fluid-pore walls potential are determined. It is shown that an enormously large number of different phase diagram topologies can occur, depending on the parameters of the problem (pore width, strength of the fluid-pore walls potential, etc).
Sałamacha
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Faculty of Chemistry, MCS University, 20031 Lublin, Poland. leszeks@kicior.umcs.lublin.pl
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Sokołowski
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Binder
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