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Article Dans Une Revue Journal of Chemical Physics Année : 2021

Full solution to the mean spherical approximation (MSA) for an arbitrary mixture of ions in a dipolar solvent

Résumé

The complete solution to the mean-spherical approximation is given for an arbitrary mixture of ions in a dipolar solvent. The calculation is done for an overall neutral collection of charged hard spheres (the ions), and dipoles (the solvent) that bear a central point dipole. Previous solutions to this problem were not consistent because they did not include the solvent particles as a (neutral) solute in the mixture. The present solution accounts for this peculiar counterintuitive feature, fully and consistently. Complete expressions for the chemical potentials of the ions and of the solvent are provided for the first time. To illustrate, a binary 1-1 asymmetric electrolyte solution in a water-like dipolar solvent is considered, and some numerical results are examined. In particular, it is verified that a set of thermodynamic consistency relations are accurately fulfilled.
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Dates et versions

hal-03380313 , version 1 (15-10-2021)

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Jean-Pierre Simonin, Johan S Høye. Full solution to the mean spherical approximation (MSA) for an arbitrary mixture of ions in a dipolar solvent. Journal of Chemical Physics, 2021, 155 (11), pp.114502. ⟨10.1063/5.0064188⟩. ⟨hal-03380313⟩
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