Ionic activity in concentrated electrolytes: Solvent structure effect revisited
File(s)
Accepted version
OA Location
Author(s)
Levy, Amir
Bazant, Martin
Kornyshev, Alexei
Type
Journal Article
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.
Date Issued
2020-01-01
Date Acceptance
2019-10-31
Citation
Chemical Physics Letters, 2020, 738, pp.1-5
ISSN
0009-2614
Publisher
Elsevier
Start Page
1
End Page
5
Journal / Book Title
Chemical Physics Letters
Volume
738
Copyright Statement
Copyright the authors
Sponsor
MIT-Imperial Seed Fund
Identifier
http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000501784200035&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=1ba7043ffcc86c417c072aa74d649202
Grant Number
Collaboration between the groups of Prof. M. Bazant at MIT and Prof. A. Kornyshev at Imperial College
Subjects
Science & Technology
Physical Sciences
Chemistry, Physical
Physics, Atomic, Molecular & Chemical
Chemistry
Physics
NONLOCAL DIELECTRIC FUNCTION
THERMODYNAMIC PROPERTIES
ACTIVITY-COEFFICIENTS
AQUEOUS-SOLUTIONS
POLAR-SOLVENT
LIQUID
EQUATION
Publication Status
Published
Article Number
ARTN 136915
Date Publish Online
2019-11-04