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The phase behaviour of a fluid in a slitlike pore with permeable walls
Authors:PAWEŁ BRYK  JOANNA RESZKO-ZYGMUNT  WOJCIECH RŻYSKO  STEFAN SOKOŁOWSKI
Affiliation:1. Department for the Modelling of Physico-Chemical Processes , 20031, Lublin, Poland;2. Department of Analytical Chemistry, Faculty of Chemistry , Maria Curie-Sk?odowska University , 20031, Lublin, Poland;3. Instituto de Quimica de la UNAM , Circuito Exterior, Coyoacán, 04510, Mexico, DF
Abstract:The confinement of a lattice fluid in a set of slitlike pores separated by semipermeable walls with a finite width has been studied. The walls are modelled by a square-well repulsive potential with a finite height. The thermodynamic properties and the phase behaviour of the system are evaluated by means of Monte Carlo simulations. For some states theoretical calculations have been made using a mean-field-type theory. These investigations confirm previous findings for confined Lennard-Jones fluids, obtained from a density functional approach. For intermediate and low potential barriers that separate the pores, the isotherms exhibit two hysteresis loops and the liquid-vapour coexistence curve divides into two branches describing condensation inside the pore and inside the permeable wall. These two branches are separated by a triple point. At temperatures lower than the triple point temperature, the condensation takes place instantaneously in both the pore and inside the permeable wall. It was found that when the temperature is scaled by the bulk critical temperature, the phase diagram emerging from this simple mean-field treatment is close to the phase diagram obtained from simulation.
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