Published Research - Department of Chemistry
Date of this Version
In the framework of density functional theory (DFT), two patching models for the density profile of spherical liquid droplet are developed. The patching is based on analytical expressions of the asymptote of the density profiles. The first model leads to analytic expressions of the Tolman length and the effective rigidity constant, from which the temperature dependence of the Tolman length and effective rigidity constant can be determined. The second model is developed particularly for small spherical droplets, from which the dependence of chemical potential and the surface tension of the droplet on the radius are obtained. The results are compared with numerical DFT calculations.
Published by American Institute of Physics. J. Chem. Physics VOLUME 111, NUMBER 23, 15 DECEMBER 1999. ©1999 American Institute of Physics. Permission to use. http://jcp.aip.org/.