Multipolar electrolyte solution models. III. Free energy of the charged and dipolar hard sphere mixture

Günther H.J. Peters, J. Eggebrecht

Research output: Contribution to journalJournal articleResearchpeer-review

Abstract

For pt.II see ibid., vol.98, no.2, p.1539-45 (1993). Helmholtz free energies, internal energies, and pressures of mixtures of charged and dipolar hard spheres are obtained from Monte Carlo computer simulation. Ionic and solvent contributions to these properties of this electrolyte solution model are reported for a large number of states, with variations in total density, ionic concentration, and the ratio of ionic charge to solvent polarity. From this data the authors show that, in contrast to solution theories based on replacement of the solvent by a continuum with dielectric constant ∈, there is a correspondence in properties of the states at fixed κ2=κ2∈, where κ is the inverse Debye length.
Original languageEnglish
JournalJournal of Chemical Physics
Volume98
Issue number2
Pages (from-to)1546-1551
Number of pages6
ISSN0021-9606
DOIs
Publication statusPublished - 1993
Externally publishedYes

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