Density of pure, associating fluids near the solid-liquid interface

In the present letter, we study the role of hydrogen bonds on the density of a pure, associating liquid in the solid-liquid interfacial region. The approach followed by us is to treat the liquid phase as comprising (i) oligomers/clusters of various sizes formed between the molecules of associating components present in the liquid/solid phases and (ii) holes. The interfacial properties of the resulting multicomponent system are then obtained using the monolayer theory proposed earlier by us (Suresh and Naik, 1996, 1997). The resulting expressions are found to be remarkably simple. To clearly demonstrate the accuracy of the proposed theory, results for the density of water-like molecules teach possessing two proton donor and two proton acceptor sites) near a hard wall are compared against those of available Monte-Carlo simulations (Segura and Chapman, 1995) and the density functional theory (Segura et (al., 1997). (C) Academic Press.