Vapour-liquid phase diagram for an ionic fluid in a random porous medium

Holovko, M.; Patsahan, Oksana; Patsahan, T.

doi:10.1088/0953-8984/28/41/414003

Cited by 14 publications

(17 citation statements)

References 36 publications

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“…Then, using the method of CVs, we can present the equilibrium grand partition function of the system in the form of a functional integral (see [43] and the references therein):…”

Section: B Collective Variables-based Approach Gaussian Approximationmentioning

confidence: 99%

Vapor-liquid phase behavior of a size-asymmetric model of ionic fluids confined in a disordered matrix: The collective-variables-based approach

Patsahan

Holovko

2018

Phys. Rev. E

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We develop a theory based on the method of collective variables to study the vapor-liquid equilibrium of asymmetric ionic fluids confined in a disordered porous matrix. The approach allows us to formulate the perturbation theory using an extension of the scaled particle theory for a description of a reference system presented as a two-component hard-sphere fluid confined in a hard-sphere matrix. Treating an ionic fluid as a size-and charge-asymmetric primitive model (PM) we derive an explicit expression for the relevant chemical potential of a confined ionic system which takes into account the third-order correlations between ions. Using this expression, the phase diagrams for a size-asymmetric PM are calculated for different matrix porosities as well as for different sizes of matrix and fluid particles. It is observed that general trends of the coexistence curves with the matrix porosity are similar to those of simple fluids under disordered confinement, i.e., the coexistence region gets narrower with a decrease of porosity, and simultaneously the reduced critical temperature T * c and the critical density ρ * i,c become lower. At the same time, our results suggest that an increase in size asymmetry of oppositely charged ions considerably affects the vapor-liquid diagrams leading to a faster decrease of T * c and ρ * i,c and even to a disappearance of the phase transition, especially for the case of small matrix particles.

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“…Then, using the method of CVs, we can present the equilibrium grand partition function of the system in the form of a functional integral (see [43] and the references therein):…”

Section: B Collective Variables-based Approach Gaussian Approximationmentioning

confidence: 99%

Vapor-liquid phase behavior of a size-asymmetric model of ionic fluids confined in a disordered matrix: The collective-variables-based approach

Patsahan

Holovko

2018

Phys. Rev. E

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“…The present work can be extended directly to the presence of disordered porous media. For the present time, the scaled particle theory for a hard sphere fluid in disordered porous media is quite well developed [27-29, 33, 42, 43] and has found applications in describing a reference system within the perturbation theory for fluids with different types of attraction, such as associative [44] and ionic fluids [45,46]. A generalization of SPT theory for the description of a hard spherocylinder fluid in disordered porous media is presented in [13,14].…”

Section: Discussionmentioning

confidence: 99%

Isotropic-nematic transition in a mixture of hard spheres and hard spherocylinders: scaled particle theory description

Holovko¹,

Hvozd²

2017

Condens. Matter Phys.

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The scaled particle theory is developed for the description of thermodynamical properties of a mixture of hard spheres and hard spherocylinders. Analytical expressions for free energy, pressure and chemical potentials are derived. From the minimization of free energy, a nonlinear integral equation for the orientational singlet distribution function is formulated. An isotropic-nematic phase transition in this mixture is investigated from the bifurcation analysis of this equation. It is shown that with an increase of concentration of hard spheres, the total packing fraction of a mixture on phase boundaries slightly increases. The obtained results are compared with computer simulations data.

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“…. r indicates the average taken over the reference system and we put ρ 1 Taking into account the second order cumulants in (11), after integration, we obtain the grand partition function of the replicated system in the Gaussian approximation…”

Section: Theoretical Backgroundmentioning

confidence: 99%

Vapour-liquid critical parameters of a 2:1 primitive model of ionic fluids confined in disordered porous media

Patsahan

Holovko

2018

Journal of Molecular Liquids

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We study the vapour-liquid critical parameters of an ionic fluid confined in a disordered porous medium by using the theory which combines the collective variables approach with an extension of the scaled particle theory. The ionic fluid is described as a two-component charge-and sizeasymmetric primitive model, and a porous medium is modelled as a disordered matrix formed by hard-spheres obstacles. In the particular case of the fixed valencies 2:1, the coexistence curves and the corresponding critical parameters are calculated for different matrix porosities as well as for different diameters of matrix and fluid particles. The obtained results show that the general trends of the reduced critical temperature and the reduced critical density with the microscopic characteristics are similar to the trends obtained in the monovalent case. At the same time, it is noticed that an ion charge asymmetry significantly weakens the effect of the matrix presence.

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Vapour-liquid phase diagram for an ionic fluid in a random porous medium

Cited by 14 publications

References 36 publications

Vapor-liquid phase behavior of a size-asymmetric model of ionic fluids confined in a disordered matrix: The collective-variables-based approach

Vapor-liquid phase behavior of a size-asymmetric model of ionic fluids confined in a disordered matrix: The collective-variables-based approach

Isotropic-nematic transition in a mixture of hard spheres and hard spherocylinders: scaled particle theory description

Vapour-liquid critical parameters of a 2:1 primitive model of ionic fluids confined in disordered porous media

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