Abstract
Various combinations of the hypernetted chain (HNC) equation with the mean spherical approximation (MSA) and the Percus-Yevick (PY) equation are compared both for a well-known aqueous 2-2 electrolyte model solution and for real acetonitrile solutions. Belloni's self-consistency test shows that classical HNC calculations yield the best compressibility data for the two systems despite an apparently unrealistic g++ maximum in the case of the aqueous solution. Effective concentration-dependent potentials making use of the dependence of the solution permittivity on electrolyte concentration are used for HNC calculations of osmotic coefficients for methanol solutions.
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Kunz, W., Barthel, J. Vapor pressure measurements on nonaqueous electrolyte solutions. Part 6. Some remarks on integral equations. J Solution Chem 19, 339–352 (1990). https://doi.org/10.1007/BF00648140
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DOI: https://doi.org/10.1007/BF00648140