Theory of electrolytes including steric, attractive, and hydration interactions

R Okamoto, K Koga, A Onuki - The Journal of Chemical Physics, 2020 - pubs.aip.org
We present a continuum theory of electrolytes composed of a waterlike solvent and
univalent ions. First, we start with a density functional F for the coarse-grained solvent,
cation, and anion densities, including the Debye–Hückel free energy, the Coulombic
interaction, and the direct interactions among these three components. These densities
fluctuate obeying the distribution∝ exp (− F/k BT)⁠. Eliminating the solvent density deviation
in F⁠, we obtain the effective non-Coulombic interactions among the ions, which consist of …
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