Thermodynamics of hard-sphere fluids in polydisperse random porous media: Extended scaled particle theory

T. Hvozd; M. Hvozd; M. Holovko

doi:10.5488/CMP.29.13402

Authors

T. Hvozd Yukhnovskii Institute for Condensed Matter Physics of NAS of Ukraine, 1 Svientsitskii Str., 79011 Lviv, Ukraine https://orcid.org/0000-0002-0156-1753
M. Hvozd Yukhnovskii Institute for Condensed Matter Physics of NAS of Ukraine, 1 Svientsitskii Str., 79011 Lviv, Ukraine https://orcid.org/0000-0001-8609-309X
M. Holovko Yukhnovskii Institute for Condensed Matter Physics of NAS of Ukraine, 1 Svientsitskii Str., 79011 Lviv, Ukraine https://orcid.org/0000-0001-8114-5356

DOI:

https://doi.org/10.5488/CMP.29.13402

Keywords:

polydispersity, hard-sphere fluid, random porous media, thermodynamics

Abstract

Accurate descriptions of reference systems are a central task in liquid-state theories for the study of more complex systems. Using scaled particle theory (SPT), we derive a fully analytical description of the thermodynamic properties of a hard-sphere (HS) fluid confined in size-polydisperse HS random porous media, extending the existing approaches to higher matrix packing fractions. We calculate chemical potentials for a wide range of porousmatrix parameters, including the matrix packing fraction, degree of polydispersity, and particle-size distributions. Within the proposed framework, our results show excellent agreement with available Monte Carlo simulations and previous integral-equation theories over a broad range of matrix packing fractions, 0.1 ≤ η₀≤ 0.3, and degrees of polydispersity.

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