Ionic activity in concentrated electrolytes: solvent structure effect revisited

preprint2019arXivOpen access

Abstract

We revisit the role of the local solvent structure on the activity coefficient of electrolytes with a general non-local dielectric function approach. We treat the concentrated electrolyte as a dielectric medium and suggest an interpolated formula for the dielectric response. The pure water limit is calibrated based on MD simulations and experimental data. Solving our model around a central ion, we find strong over-screening and oscillations in the potential, which are absent in the standard "primitive model" predictions. We obtain mathematically tractable closed-form expressions for the activity coefficients and show reasonable agreement with experimental data.

Explore this paper’s authors, topics and related work.

Building this map preview

BZPEER is loading the nearby papers, people, topics and institutions for this page.

Reviews 0

Write a reviewWrite

No reviews yet.

Discussion 0

Add a commentWrite

No comments yet.