Title:
Vapour-liquid phase behaviour of primitive models of ionic liquids confined in disordered porous media
Author(s):
T. Hvozd
(Institute for Condensed Matter Physics of the National Academy of Sciences of Ukraine, 1 Svientsitskii St., 79011 Lviv, Ukraine),
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T. Patsahan
(Institute for Condensed Matter Physics of the National Academy of Sciences of Ukraine, 1 Svientsitskii St., 79011 Lviv, Ukraine ; Institute of Applied Mathematics and Fundamental Sciences, Lviv Polytechnic National University, 12 S.Bandera Str., 79013 Lviv, Ukraine),
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Yu. Kalyuzhnyi
(Institute for Condensed Matter Physics of the National Academy of Sciences of Ukraine, 1 Svientsitskii St., 79011 Lviv, Ukraine; University of Ljubljana, Faculty of Chemistry and Chemical Technology, Večna pot 113, SI-1000 Ljubljana, Slovenia),
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O. Patsahan
(Institute for Condensed Matter Physics of the National Academy of Sciences of Ukraine, 1 Svientsitskii St., 79011 Lviv, Ukraine),
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M. Holovko
(Institute for Condensed Matter Physics of the National Academy of Sciences of Ukraine, 1 Svientsitskii St., 79011 Lviv, Ukraine)
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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.
Key words: ionic liquids, disordered porous medium, chain-like cations, vapour-liquid phase diagrams
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