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
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.