REPLICA ORNSTEIN-ZERNIKE THEORY FOR CHEMICALLY ASSOCIATING FLUIDS WITH DIRECTIONAL FORCES IN DISORDERED POROUS-MEDIA - SMITH-NEZBEDA MODEL IN A HARD-SPHERE MATRIX
Ga. Orozco et al., REPLICA ORNSTEIN-ZERNIKE THEORY FOR CHEMICALLY ASSOCIATING FLUIDS WITH DIRECTIONAL FORCES IN DISORDERED POROUS-MEDIA - SMITH-NEZBEDA MODEL IN A HARD-SPHERE MATRIX, Molecular physics, 91(4), 1997, pp. 625-634
The associative replica Ornstein-Zernike equations, supplemented by th
e associative hypernetted chain approximation are used to describe the
Smith-Nezbeda model for an associating fluid adsorbed in a disordered
hard sphere matrix. These equations have been developed by combining
the replica Ornstein-Zernike equations with the Wertheim theory of ass
ociation in fluids. The pair distribution functions and fraction of un
bonded species are;calculated. Also investigated is the influence of t
he association on the equation of state a nd the chemical potential of
the absorbed fluid.