Structure and thermodynamic properties of a polydisperse fluid in contact with a polydisperse matrix |
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| Authors: | S. JORGE ELISABETH SCHÖLL-PASCHINGER GERHARD KAHL MARÍA-JOSÉ FERNAUD |
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| Affiliation: | 1. Instituto de Química Física Rocasolano , CSIC, Serrano 119, E-28006, Madrid, Spain;2. Departamento de Química Física I , Universidad Complutense , E-28040, Madrid, Spain;3. Center for Computational Materials Science and Institut für Theoretische Physik, Technische Universit?t Wien , Wiedner Hauptstra?e 8-10, A-1040, Wien, Austria;4. Center for Computational Materials Science and Institut für Theoretische Physik, Technische Universit?t Wien , Wiedner Hauptstra?e 8-10, A-1040, Wien, Austria |
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| Abstract: | We present expressions that allow the determination of the structural and thermodynamic properties of a polydisperse liquid mixture in contact with a polydisperse matrix; polydispersity of the fluid and of the matrix are described by distribution functions f f(σ) and f m (σ), where σ and σ characterize the size of the fluid and of the matrix particles. The formalism is based on the replica trick (to describe the properties of a fluid in contact with a matrix) and on the expansion of size-dependent functions in terms of orthogonal polynomials associated with the distribution functions f f(σ) and f m (σ). In our expressions structural and thermodynamic properties are calculated from coefficient functions (of these expansions) which are obtained from a numerical solution of the generalized replica Ornstein-Zernike equations, solved along with a suitable closure relation. |
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