ABSTRACT

This chapter is concerned with the theory of inhomogeneous associating fluids. Computer simulation methods, integral equations and density functional techniques provide powerful tools to investigate inhomogeneous fluids. The chapter focuses on a simple model of a non-uniform associating fluid with spherically symmetric associative forces between species. It discusses one version of the density functional theory for a model of associating hard spheres. The chapter deals with the description of models with directional associative forces, introduced by M. S. Wertheim. It describes the density functional methodology and shows its application in the studies of adsorption of associating fluids on partially permeable walls. The chapter provides the application of the density functional method in investigations of wettability of associating fluids on solid surfaces and of capillary condensation in slit-like pores. It presents examples of the application of the Monte Carlo simulation to investigate the structure and thermodynamic properties of ad-layers of an associating fluid.