Vapour-liquid phase behaviour of primitive models of ionic liquids confined in disordered porous media

Authors

  • T. Hvozd Institute for Condensed Matter Physics of the National Academy of Sciences of Ukraine, 1 Svientsitskii Str., 79011 Lviv, Ukraine https://orcid.org/0000-0002-5113-8259
  • T. Patsahan Institute for Condensed Matter Physics of the National Academy of Sciences of Ukraine, 1 Svientsitskii Str., 79011 Lviv, Ukraine; Institute of Applied Mathematics and Fundamental Sciences, Lviv Polytechnic National University, 12 S. Bandera Str., 79013 Lviv, Ukraine https://orcid.org/0000-0002-7870-2219
  • Yu. Kalyuzhnyi Institute for Condensed Matter Physics of the National Academy of Sciences of Ukraine, 1 Svientsitskii Str., 79011 Lviv, Ukraine; University of Ljubljana, Faculty of Chemistry and Chemical Technology, Večna pot 113, SI-1000 Ljubljana, Slovenia https://orcid.org/0000-0002-0631-9982
  • O. Patsahan Institute for Condensed Matter Physics of the National Academy of Sciences of Ukraine, 1 Svientsitskii Str., 79011 Lviv, Ukraine https://orcid.org/0000-0002-5839-3893
  • M. Holovko Institute for Condensed Matter Physics of the National Academy of Sciences of Ukraine, 1 Svientsitskii Str., 79011 Lviv, Ukraine https://orcid.org/0000-0001-8114-5356

DOI:

https://doi.org/10.5488/cmp.27.23602

Keywords:

ionic liquids, disordered porous medium, chain-like cations, vapour-liquid phase diagrams

Abstract

We  develop a theory for the description  of  ionic liquids (ILs) confined in a porous medium formed by a matrix of immobile randomly placed uncharged  particles. The IL is modelled as an electroneutral  mixture of hard-sphere anions and flexible linear chain cations, represented by tangentially bonded hard spheres with the charge located on one of the terminal beads. The theory combines  a  generalization of the scaled particle theory, Wertheim's thermodynamic perturbation theory, and the associative mean-spherical approximation  and allows one to obtain analytical expressions for the pressure and chemical potentials of the  matrix-IL system. Using the theory, we calculate the vapour–liquid phase diagrams for two versions of the IL model, i.e., when the cation is modelled as a dimer and as a chain, in a complete association limit. The effects of the matrix confinement  and of the  non-spherical shape of the cations on the vapour-liquid phase diagrams are studied.

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2024-06-28

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Copyright (c) 2024 T. Hvozd, T. Patsahan, Yu. Kalyuzhnyi, O. Patsahan, M. Holovko

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How to Cite

[1]
T. Hvozd, T. Patsahan, Y. Kalyuzhnyi, O. Patsahan, and M. Holovko, “Vapour-liquid phase behaviour of primitive models of ionic liquids confined in disordered porous media”, Condens. Matter Phys., vol. 27, no. 2, p. 23602, Jun. 2024, doi: 10.5488/cmp.27.23602.

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