Bulletin of the American Physical Society
2024 APS March Meeting
Monday–Friday, March 4–8, 2024; Minneapolis & Virtual
Session T10: Modeling the Electrochemical Interface I
11:30 AM–1:42 PM,
Thursday, March 7, 2024
Room: M100A
Sponsoring
Unit:
DCOMP
Chair: Marivi Fernandez-Serra, Stony Brook University
Abstract: T10.00009 : Screening of Point charges in dielectrics: Disentangling Coulombic from Entropic effects.*
1:30 PM–1:42 PM
Presenter:
Marivi Fernandez-Serra
(Stony Brook University)
Authors:
Marivi Fernandez-Serra
(Stony Brook University)
Alec Wills
(Stony Brook University)
Anthony Mannino
(Stony Brook University (SUNY))
Jose M Soler
(Univ Autonoma de Madrid)
The free energy of ion solvation of different solvent models can be decomposed into enthalpic and entropic contributions. This can help our understanding of the dielectric properties of the solvent and their connection to the physical properties of the underlying model. In an effort to model the effects of charge screening on ion pair stability, we present a linear response model that modifies the Coulomb potential and gives an alternate understanding of solvation transition barriers. Moreover, it predicts stable Coulombic pairings between like-charged ions. We show that this is a universal behavior associated to the non local response function of any dielectric or metallic system.
*Funded by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, under Award No. DE-SC0019394, as part of the CCS Program
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