Abstract
An extension of the replica Ornstein-Zernike (ROZ) equations for partly quenched polydisperse systems is presented. Explicit calculations have been performed for a monodisperse hard sphere fluid confined by a polydisperse hard sphere disordered matrix by using Percus-Yevick and hypernetted chain (HNC) approximations. The chemical potential of adsorbed fluid species has been evaluated. A numerical solution of the ROZ equations makes use of the orthonormal polynomials with the weight function corresponding to the distribution function of the diameters of matrix species. We have also compared the results of theoretical predictions with Monte Carlo simulation in a canonical ensemble. The result of this comparison suggests that the HNC approximation performs slightly better in predicting the structural properties of the system.
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Pizio, O., Sokołowska, Z. & Sokołowski, S. Effects of polydispersity in quenched-annealed fluids: An integral equation approach. Czech J Phys 50, 769–783 (2000). https://doi.org/10.1023/A:1022891004122
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DOI: https://doi.org/10.1023/A:1022891004122