Liquid drops of polar molecules

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Abstract
We report a molecular dynamics study of liquiddrops composed of Stockmayer molecules. We calculate density profiles, the density‐orientation profiles, liquid and vapor pressures, the Irving–Kirkwood (IK) pressuretensor,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 pressuretensor 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.

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