Vagaries of density functional theory of the liquid-vapor interface

Jerome Percus

Research output: Contribution to journalArticle

Abstract

The (direct) potential functional and (inverse) density functional formulations of classical equilibrium statistical mechanics are reviewed, and their local thermodynamic limits presented. Both are extended, in particular for interfacial structure, in Van der Waals mean field theory. The direct generator, the grand potential, is transformed by the Kac-Siegert approach and the profile equation approximated. The indirect free energy functional is expanded in interaction strength. Both approaches fail to combine consistency with known profile softening under weak external fields. The Kac-Siegert form is then rewritten in terms of a distribution of interfacial surfaces alone for a special model, and transformed to inverse format for a two-dimensional system, yielding a free energy density functional which involves a deaveraged density field, and has the expected interfacial properties.

Original languageEnglish (US)
Pages (from-to)1-16
Number of pages16
JournalPhysica A: Statistical Mechanics and its Applications
Volume172
Issue number1-2
DOIs
StatePublished - Mar 15 1991

Fingerprint

liquid-vapor interfaces
Density Functional
Free Energy
free energy
Liquid
density functional theory
Van Der Waals
Softening
Mean-field Theory
Two-dimensional Systems
Thermodynamic Limit
Energy Functional
profiles
statistical mechanics
Statistical Mechanics
Energy Density
softening
External Field
format
generators

ASJC Scopus subject areas

  • Mathematical Physics
  • Statistical and Nonlinear Physics

Cite this

Vagaries of density functional theory of the liquid-vapor interface. / Percus, Jerome.

In: Physica A: Statistical Mechanics and its Applications, Vol. 172, No. 1-2, 15.03.1991, p. 1-16.

Research output: Contribution to journalArticle

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