Published Research - Department of Chemistry
Date of this Version
In the framework of density functional theory (DFT), a patching model for the density profile of the liquid–vapor interface is developed. The patching is based on analytical expressions of the asymptote of the density profiles. Derived from the model the surface tension of planar liquid–vapor interface as well as the Tolman length can be computed from analytic expressions. Two prototype systems are considered; the Yukawa and the Lennard-Jones. As a result, the temperature dependence of the surface tension as well as the Tolman length are obtained. The results are compared with numerical DFT calculations.
Published by American Institute of Physics. J. Chem. Physics VOLUME 111, NUMBER 8, 22 AUGUST 1999. ©1999 American Institute of Physics. Permission to use. http://jcp.aip.org/.