Structure and thermodynamic properties of a binary liquid in a porous matrix: The formalism

Citation
E. Paschinger et G. Kahl, Structure and thermodynamic properties of a binary liquid in a porous matrix: The formalism, PHYS REV E, 61(5), 2000, pp. 5330-5338
Citations number
27
Categorie Soggetti
Physics
Journal title
PHYSICAL REVIEW E
ISSN journal
1063651X → ACNP
Volume
61
Issue
5
Year of publication
2000
Part
A
Pages
5330 - 5338
Database
ISI
SICI code
1063-651X(200005)61:5<5330:SATPOA>2.0.ZU;2-A
Abstract
Using the replica trick we derive a formalism to describe the structure and the thermodynamic properties of a binary liquid in equilibrium with a poro us medium. We present the replica Ornstein-Zernike equations for the genera l case of a k-component liquid inside a porous matrix; besides the usual li quid-state closure relations, we consider in particular the optimized rando m phase approximation (ORPA) restricting ourselves at present to hard-core potentials exclusively. We present furthermore several thermodynamic relati ons: the Gibbs-Duhem equation, the compressibility, and the virial equation . Within the framework of the ORPA (mean spherical approximation), closed e xpressions for the perturbation contribution to the free energy and the che mical potentials can be presented. Finally, we offer suggestions for numeri cal implementations.