Polar liquids at charged interfaces: A dipolar shell theory
Name
5.0096439.pdf
Description
Published version
Size
6.59 MB
Format
Adobe PDF
Checksum (MD5)
11ce322517faf52ed24aa07b48af1e91
Author(s)
de Souza, J Pedro
Kornyshev, Alexei A
Bazant, Martin Z
Date Issued
June 28, 2022
Journal
The Journal of Chemical Physics
Publisher
AIP Publishing
Citation
de Souza, J Pedro, Kornyshev, Alexei A and Bazant, Martin Z. 2022. "Polar liquids at charged interfaces: A dipolar shell theory." The Journal of Chemical Physics, 156 (24).
Version
Final published version
Abstract
The structure of polar liquids and electrolytic solutions, such as water and aqueous electrolytes, at interfaces underlies numerous phenomena in physics, chemistry, biology, and engineering. In this work, we develop a continuum theory that captures the essential features of dielectric screening by polar liquids at charged interfaces, including decaying spatial oscillations in charge and mass, starting from the molecular properties of the solvent. The theory predicts an anisotropic dielectric tensor of interfacial polar liquids previously studied in molecular dynamics simulations. We explore the effect of the interfacial polar liquid properties on the capacitance of the electrode/electrolyte interface and on hydration forces between two plane-parallel polarized surfaces. In the linear response approximation, we obtain simple formulas for the characteristic decay lengths of molecular and ionic profiles at the interface.
MIT Department
Massachusetts Institute of Technology. Department of Chemical Engineering
Massachusetts Institute of Technology. Department of Mathematics
Terms of Use
Creative Commons Attribution 4.0 International license
Persistent DSpace Link
DOI of Published Version
https://doi.org/10.1063/5.0096439
