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  4. Ionic activity in concentrated electrolytes: Solvent structure effect revisited
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Ionic activity in concentrated electrolytes: Solvent structure effect revisited

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sword-2021-06-08T14:31:05.original.xml (130 B)
Original SWORD entry document
Author(s)
Levy, Amir
•
Bazant, Martin
•
Kornyshev, Alexei
Date Issued
2020
Journal
Chemical Physics Letters
Publisher
Elsevier BV
Version
Original manuscript
Abstract
We revisit the role of the local solvent structure on the activity coefficients of electrolytes within a nonlocal dielectric function approach. We treat the concentrated electrolyte as a dielectric medium and suggest an interpolation formula for its nonlocal dielectric response. The water dielectric response is approximated based on MD simulations and experimental data, that gives 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, in reasonable agreement with experimental data.
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Creative Commons Attribution-NonCommercial-NoDerivs License
http://creativecommons.org/licenses/by-nc-nd/4.0/
Persistent DSpace Link
https://hdl.handle.net/1721.1/136630
DOI of Published Version
10.1016/J.CPLETT.2019.136915
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