Fluid-fluid phase behaviour in the explicit hard spherocylinder solvent ionic model confined in a disordered porous medium
| Autor: | Marta Hvozd, Oksana Patsahan, T. Patsahan, Myroslav Holovko |
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| Rok vydání: | 2022 |
| Předmět: |
Phase transition
Materials science Ionic bonding Hard spheres Condensed Matter Physics Atomic and Molecular Physics and Optics Electronic Optical and Magnetic Materials Ion Condensed Matter::Soft Condensed Matter Matrix (mathematics) Chemical physics Phase (matter) Materials Chemistry Particle Physical and Theoretical Chemistry Porous medium Spectroscopy |
| Zdroj: | Journal of Molecular Liquids. 346:117888 |
| ISSN: | 0167-7322 |
| DOI: | 10.1016/j.molliq.2021.117888 |
| Popis: | We propose a theoretical approach that takes into account the effects of a disordered porous confinement on the liquid-liquid phase behavior of the ionic solution modelled by the restricted primitive model with an explicit consideration of the neutral hard spherocylinder solvent. The theory is based on a combination of two approaches: the scale particle theory for the description of the reference system represented by a mixture of hard spheres and hard spherocylinders confined in a disordered hard-sphere matrix and the associative mean-spherical approximation for taking into account Coulomb interactions between ions. Alternatively, the mean spherical approximation is applied for the description of the ionic subsystem for comparison. For the considered solvent explicit model in a matrix, analytical expressions for pressure, free energy and partial chemical potentials are derived for the first time. Using these expressions, the liquid-liquid phase transition is studied, where one phase is enriched with ions and another one – with solvent particles. In the solvent-rich phase, the isotropic-nematic phase transition is observed due to the orientational ordering of the spherocylinder solvent particles at different porosities of a matrix. The effects of the matrix confinement and of the solvent particle elongation on the liquid-liquid and isotropic-nematric phase transitions are studied at different pressures. The role of association phenomena appearing between positively and negatively charged ions in phase behavior of the considered ionic solutions under confinement is discussed. |
| Databáze: | OpenAIRE |
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