Phase diagrams for model heteronuclear dimers confined in narrow slitlike pores.
Monte Carlo simulation is used to study the phase behavior of a model of heteronuclear dimers on a lattice. The calculations are carried out for two- and three-dimensional bulk systems and for dimers confined in slitlike pores of different widths and for different segment-wall interactions. The calculations recover a rich variety of phase behaviors that includes transitions between gaslike and liquidlike phases, the latter being ordered or disordered. The topology of the obtained diagrams depends on the energy of interactions between segments forming a dimer, on the segment-wall interaction, and on the pore width.
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Department for the Modelling of Physico-Chemical Processes, Maria Curie-Skłodowska University, 20031 Lublin, Poland. wojtekrzysko@gmail.com