Ionic activity in concentrated electrolytes: Solvent structure effect revisited
Name
1905.12076.pdf
Description
Submitted version
Size
418.02 KB
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Unknown
Checksum (MD5)
f7ec674ef9e3797af1203ac317dacf39
Author(s)
Levy, Amir
Bazant, Martin Z
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.
MIT Department
Massachusetts Institute of Technology. Department of Physics
Massachusetts Institute of Technology. Department of Chemical Engineering
Massachusetts Institute of Technology. Department of Mathematics
Terms of Use
Creative Commons Attribution-NonCommercial-NoDerivs License
Persistent DSpace Link
DOI of Published Version
https://doi.org/10.1016/J.CPLETT.2019.136915
