A heuristic approach for nanodrops on a smooth solid surface

Abstract

A heuristic approach is developed to obtain a simple equation for the contact angle of a nanodrop on a smooth planar solid surface. First, nanodrops of various fluids in contact with various solid surfaces are considered on the basis of nonlocal density functional theory (DFT). Along with the traditional (apparent) contact angle, θ_a, which the drop profile makes with the solid surface, another one, θ_d, formed by the smooth part of the drop profile and the horizontal plane separating that part from the oscillatory part of the profile was examined. For each of the contact angles, a separate simple equation resembling the Young equation for the macroscopic drops but containing, instead of surface tensions, the microscopic parameters of intermolecular interactions, temperature, and average density of the fluid was hypothesized and the parameters of this equation were determined using the results of DFT calculations. It was shown that predictions of these equations coincide with the results provided by DFT.