Liquid drops of polar molecules

We report a molecular dynamics study of liquid drops composed of Stockmayer molecules. We calculate density profiles, the density-orientation profiles, liquid and vapor pressures, the Irving–Kirkwood (IK) pressure tensor, surface tensions, the positions of surfaces of tension, and Tolman’s length δ. In the process of performing these calculations we present a novel computational method for the IK pressure tensor for inhomogeneous molecular fluids that is derived from stress arguments. The effects of curvature on the vapor–liquid interface of a Stockmayer fluid are discussed at a qualitative level.