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

In the present letter, we study the role of hydrogen bonds on the density o f a pure, associating liquid in the solid-liquid interfacial region. The ap proach followed by us is to treat the liquid phase as comprising (i) oligom ers/clusters of various sizes formed between the molecules of associating c omponents present in the liquid/solid phases and (ii) holes. The interfacia l 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 de monstrate the accuracy of the proposed theory, results for the density of w ater-like molecules teach possessing two proton donor and two proton accept or sites) near a hard wall are compared against those of available Monte-Ca rlo simulations (Segura and Chapman, 1995) and the density functional theor y (Segura et (al., 1997). (C) Academic Press.