Replica Density Functional Study of One-Dimensional Hard Core Fluids in Porous Media

Abstract

A binary quenched-annealed hard core mixture is considered in one dimension in order to model fluid adsorbates in narrow channels filled with a random matrix. Two different density functional approaches are employed to calculate adsorbate bulk properties and interface structure at matrix surfaces. The first approach uses Percus' functional for the annealed component and an explicit averaging over matrix configurations; this provides numerically exact results for the bulk partition coefficient and for inhomogeneous density profiles. The second approach is based on a quenched-annealed density functional whose results we find to approximate very well those of the former over the full range of possible densities. Furthermore we give a derivation of the underlying replica density functional theory.

22 pages, 11 figures, to be published in JSP

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• Recent developments in classical density functional theory: Internal energy functional and diagrammatic structure of fundamental measure theory
• Depletion force between disordered linear macromolecules
• Thermodynamics of hard-sphere fluids in polydisperse random porous media: Extended scaled particle theory