Analysis of the linear tension of two-dimensional droplets on heterogeneous adsorbents

Resumo

A procedure for analyzing the formation processes of two-dimensional droplets of an adsorbate on a rigid adsorbent support is considered. The molecular theory is based on data on the potential functions between adsorbent atoms and adsorbate molecules. Interactions between nearest neighbors are considered in the quasi-chemical approximation. The internal motions of adsorbent atoms and adsorbate molecules are ignored. Problems of describing the formation of droplets on heterogeneous adsorbents are associated with calculations for binodals (illustrated with the simplest example of two different homogeneous crystal faces) due to the choice of methods for calculating linear tension and the structural model of the region of the liquid–vapor transition. The dependence of the characteristics of droplets in the layered structural model on the method for determining the reference lines of the tension is shown for their metastable and equilibrium states. It is found that for a number of structural parameters, the thermodynamic determination of the line of tensions of metastable droplets can result in nonmonotonic dependences of the linear tension on their radii. The characteristics of two-dimensional liquid–vapor interfaces are compared for two structural models: coordination sphere and layered. It is found that the coordination sphere model allows the exclusion of the structural parameter of the layered model, but both models need refinement at small radii.