CAPILLARY CONDENSATION OF A FLUID IN A SLIT-LIKE PORE FILLED WITH OBSTACLES: LATTICE MONTE CARLO SIMULATION

W. Rżysko, O. Pizio and S. Sokołowski
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W. Rżysko: Instituto de Química de la UNAM, Circuito Exterior, Coyoackán 04510, México DF, Mexico
O. Pizio: Department for the Modelling of Physico-Chemical Processes, Marie Curie-Sklodowska University, Lublin 200-31, Poland
S. Sokołowski: Instituto de Fisica de la UNAM, Coyoacán 04511, México DF, Mexico

International Journal of Modern Physics C (IJMPC), 1999, vol. 10, issue 05, 891-903

Abstract: We study the capillary condensation of a lattice gas with nearest neighbor attraction confined to a slit-like pore filled with frozen obstacles (matrix). First, the lattice Monte Carlo simulations were performed for a slit-like pore without obstacles. Next, the pore filled with obstacles, i.e., confined microporous medium, is prepared by adsorbing and then by quenching a hard sphere fluid in the pore of the widthH. The model includes fluid-wall attraction; however, the fluid-matrix interaction is entirely repulsive. We have investigated how concentration of obstacles and the pore widthHinfluence the capillary phase diagrams. Our numerical experiments reveal essential changes in the critical temperature and in the shape of the coexistence line with the amount of quenched obstacles.

Keywords: Pores; Simulations; Phase transitions; Lattice systems; Disordered adsorbents (search for similar items in EconPapers)
Date: 1999
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DOI: 10.1142/S0129183199000693

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