Structural Forces in Ionic Liquids: The Role of Ionic Size Asymmetry
Name
de-souza-et-al-2022-structural-forces-in-ionic-liquids-the-role-of-ionic-size-asymmetry.pdf
Description
Published version
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3.41 MB
Format
Adobe PDF
Checksum (MD5)
94c108cfd27db596cf5260769ce9aeaa
Author(s)
de Souza, J Pedro
Pivnic, Karina
Bazant, Martin Z
Urbakh, Michael
Kornyshev, Alexei A
Date Issued
February 17, 2022
Journal
The Journal of Physical Chemistry B
Publisher
American Chemical Society
Citation
de Souza, J Pedro, Pivnic, Karina, Bazant, Martin Z, Urbakh, Michael and Kornyshev, Alexei A. 2022. "Structural Forces in Ionic Liquids: The Role of Ionic Size Asymmetry." The Journal of Physical Chemistry B, 126 (6).
Version
Final published version
Abstract
Ionic liquids (ILs) are charged fluids composed of anions and cations of different size and shape. The ordering of charge and density in ILs confined between charged interfaces underlies numerous applications of IL electrolytes. Here, we analyze the screening behavior and the resulting structural forces of a representative IL confined between two charge-varied plates. Using both molecular dynamics simulations and a continuum theory, we contrast the screening features of a more-realistic asymmetric system and a less-realistic symmetric one. The ionic size asymmetry plays a nontrivial role in charge screening, affecting both the ionic density profiles and the disjoining pressure distance dependence. Ionic systems with size asymmetry are stronger coupled systems, and this manifests itself both in their response to the electrode polarization and spontaneous structure formation at the interface. Analytical expressions for decay lengths of the disjoining pressure are obtained in agreement with the pressure profiles computed from molecular dynamics simulations.
MIT Department
Massachusetts Institute of Technology. Department of Chemical Engineering
Massachusetts Institute of Technology. Department of Mathematics
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DOI of Published Version
https://doi.org/10.1021/acs.jpcb.1c09441
