Nucleation on a solid substrate: A density functional approach

نویسندگان

  • V. Talanquer
  • David W. Oxtoby
چکیده

We extend the density functional approach to the statistical mechanics of inhomogeneous fluids to calculate the rate of heterogeneous nucleation of the gas-to-liquid transition by a planar solid substrate. Comparison with classical nucleation theory ~extended to incorporate the line tension that results from three-phase contact! reveals the inadequacy of the latter approaches as the spinodal is approached. Wetting and drying transitions have a large effect on the usefulness of classical theory. Free energies of formation for critical heterogeneous nuclei and their shapes and density profiles are calculated from density functional theory. © 1996 American Institute of Physics. @S0021-9606~96!51704-6#

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تاریخ انتشار 1996