journal article·2020-09-01Open access

On the solution of the mean-spherical approximation (MSA) for ions in a dipolar solvent in the general case

Jean-Pierre Simonin

AIP Advances· Volume 10· Issue 9

Abstract

This paper deals with the problem of a mixture of hard spherical ions and central point dipoles, described within the mean-spherical approximation. In this non-primitive model, the species have different diameters (unrestricted case). The first purpose of this work is to establish clear and valid equations for this problem and present a method to solve them. Formulas for the pressure, the internal and Helmholtz energies, and the chemical potentials of the species are given and discussed. The results are illustrated by considering a binary 1–1 electrolyte solution in a water-like dipolar solvent.
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Research context

OpenAlex topics: Chemical and Physical Properties in Aqueous Solutions · Thermodynamic properties of mixtures · Spectroscopy and Quantum Chemical Studies

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Laboratoire PHENIX, CNRS, Sorbonne Université (Campus P.M. Curie) , 4 Place Jussieu, Case 51, F-75005 Paris, France

References (34)

Show source-provided references
1. Electrolyte solutions10.1016/0378-3812(86)80053-x ↗
2. 1999
3. A new thermodynamic representation of binary electrolyte solutions nonideality in the whole range of concentrations10.1002/aic.690240508 ↗
4. Local composition model for excess Gibbs energy of electrolyte systems. Part I: Single solvent, single completely dissociated electrolyte systems10.1002/aic.690280410 ↗
5. Calculation of vapour-liquid equilibria in mixed solvent/salt systems using an extended UNIQUAC equation10.1016/0009-2509(86)87090-7 ↗
6. SAFT equation-of-state solution model for associating fluids10.1016/0378-3812(89)80308-5 ↗
7. Solution of a model for the solvent-electrolyte interactions in the mean spherical approximation10.1063/1.1682224 ↗
8. Analytical solution of the mean spherical approximation for an arbitrary mixture of ions in a dipolar solvent10.1063/1.453604 ↗
9. On the mean spherical approximation for hard ions and dipoles10.1063/1.462001 ↗
10. Erratum: On the mean spherical approximation for hard ions and dipoles [J. Chem. Phys. 96, 3039 (1992)]10.1063/1.468516 ↗
11. A new equation of state for real aqueous ionic fluids based on electrolyte perturbation theory, mean spherical approximation and statistical associating fluid theory10.1016/s0378-3812(99)00082-5 ↗
12. Equation of state for aqueous electrolyte systems based on the semirestricted non-primitive mean spherical approximation10.1016/j.fluid.2010.05.024 ↗
13. Low-density expansion of the solution of mean spherical approximation for ion-dipole mixtures10.1021/jp0140264 ↗
14. On the “Born” term used in thermodynamic models for electrolytes10.1063/1.5096598 ↗
15. Solution of the mean spherical approximation for hard ions and dipoles of arbitrary size10.1007/bf01014518 ↗
16. Invariant expansion III: The general solution of the mean spherical model for neutral spheres with electostatic interactions10.1063/1.1679655 ↗
17. The mean spherical approximation for an arbitrary mixture of ions in a dipolar solvent: Approximate solution, pair correlation functions, and thermodynamics10.1063/1.453036 ↗
18. Invariant expansion for two-body correlations: Thermodynamic functions, scattering, and the Ornstein–Zernike equation10.1063/1.1676864 ↗
19. Invariant expansion. II. The Ornstein-Zernike equation for nonspherical molecules and an extended solution to the mean spherical model10.1063/1.1678503 ↗
20. Charged hard spheres in dipolar hard sphere solvents. A model for electrolyte solutions10.1063/1.439333 ↗
21. Some simple results for the properties of polar fluids10.5488/cmp.14.33001 ↗
22. Exact solution of the mean spherical model for strong electrolytes in polar solvents10.1063/1.1680841 ↗
23. Nonprimitive model of electrolytes: Analytical solution of the mean spherical approximation for an arbitrary mixture of sticky ions and dipoles10.1063/1.455216 ↗
24. Mean spherical model for asymmetric electrolytes. 2. Thermodynamic properties and the pair correlation function10.1021/j100528a019 ↗
25. Simple electrolytes in the mean spherical approximation
26. Polydisperse systems: Statistical thermodynamics, with applications to several models including hard and permeable spheres10.1063/1.444274 ↗
27. Thermodynamics of the MSA for simple fluids10.1063/1.434887 ↗
28. Mean spherical approximation (MSA) for a simple model of electrolytes. I. Theoretical foundations and thermodynamics10.1063/1.454753 ↗
29. Predicting the thermodynamic properties of experimental mixed-solvent electrolyte systems using the SAFT-VR+DE equation of state10.1016/j.fluid.2017.11.017 ↗
30. Analytic solution of the mean spherical approximation for ion-dipole model in a neutralizing background10.1007/bf01019772 ↗
31. Optimized cluster expansions for classical fluids. III. Applications to ionic solutions and simple liquids10.1063/1.1678641 ↗
32. Correlation functions and their generating functionals: General relations with applications to the theory of fluids
33. Optimized cluster expansions for classical fluids. I. General theory and variational formulation of the mean spherical model and hard sphere Percus–Yevick equations10.1063/1.1678512 ↗
34. Development of an equation of state for electrolyte solutions by combining the statistical associating fluid theory and the mean spherical approximation for the nonprimitive model10.1063/1.2733673 ↗