Scaled Particle Theory for Multicomponent Hard Sphere Fluids Confined in Random Porous Media.
The formulation of scaled particle theory (SPT) is presented for a quite general model of fluids confined in a random porous media, i.e., a multicomponent hard sphere (HS) fluid in a multicomponent hard sphere or a multicomponent overlapping hard sphere (OHS) matrix. The analytical expressions for pressure, Helmholtz free energy, and chemical potential are derived. The thermodynamic consistency of the proposed theory is established. Moreover, we show that there is an isomorphism between the SPT for a multicomponent system and that for a one-component system. Results from grand canonical ensemble Monte Carlo simulations are also presented for a binary HS mixture in a one-component HS or a one-component OHS matrix. The accuracy of various variants derived from the basic SPT formulation is appraised against the simulation results. Scaled particle theory, initially formulated for a bulk HS fluid, has not only provided an analytical tool for calculating thermodynamic properties of HS fluid but also helped to gain very useful insight for elaborating other theoretical approaches such as the fundamental measure theory (FMT). We expect that the general SPT for multicomponent systems developed in this work can contribute to the study of confined fluids in a similar way.
Université de Lyon, CNRS, Ecole Normale Supérieure de Lyon, Université Lyon 1 , Laboratoire de Chimie, UMR 5182, 46 Allée d'Italie, 69364 Lyon Cedex 07, France.|Computer Network Information Center, Chinese Academy of Sciences , P.O. Box 349, 100190 Beijing, China.
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State Key Laboratory of Chemical Engineering, East China University of Science and Technology , 130 Meilong Road, 200237 Shanghai, China.
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Zhao
Institute for Condensed Matter Physics, National Academy of Sciences , 1 Svientsitskii Street, 79011 Lviv, Ukraine.
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Holovko
State Key Laboratory of Theoretical Physics, Institute of Theoretical Physics, Chinese Academy of Sciences , P.O. Box 2735, 100190 Beijing, China.
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Chen
Université de Lyon, CNRS, Ecole Normale Supérieure de Lyon, Université Lyon 1 , Laboratoire de Chimie, UMR 5182, 46 Allée d'Italie, 69364 Lyon Cedex 07, France.|State Key Laboratory of Theoretical Physics, Institute of Theoretical Physics, Chinese Academy of Sciences , P.O. Box 2735, 100190 Beijing, China.
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