Nucleation in dipolar fluids: Stockmayer fluids

摘要

We have used density functional theory to begin the study of nucleation in dipolar fluids. The simplest case of a system composed of Stockmayer molecules has been considered. Under a Weeksndash;Chandlerndash;Andersen perturbation scheme we obtain the corresponding bulk phase diagram and interfacial properties of planar and spherical liquidndash;vapor interfaces. Molecules tend to align perpendicular to the interface on the liquid side of small droplets, but the overall effect of this on free energies is negligible. The resulting nonclassical effects on nucleation rates are, hence, close to those found in nonpolar Lennardhyphen;Jones fluids.