Symmetrical mixtures in external fields

摘要

We have studied the behavior of symmetrical binary mixtures of Lennard-Jones particles in contact with strongly adsorbing walls using Monte Carlo simulation methods in the grand canonical and semi-grand canonical ensembles. Two types of the surface potential have been applied. The first depends on the distance from the surface only, while the second involves periodic modulations in the directions parallel to the wall. In the latter case, it has been assumed that the solid substrate is a fcc crystal with the surface being the (100) face. We have considered the systems in which the surface potential is strong enough to induce the layer-by-layer adsorption at low temperatures and discussed the interplay between the demixing transition and the structure of thin films for several systems characterized by different parameters describing the interactions in the system.