Anti-Coulomb ion-ion interactions: A theoretical and computational study
Year: 2024
Type: article
Abstract: The free energy of ion solvation can be decomposed into enthalpic and entropic contributions. This helps one to understand the connection between the dielectric properties and the underlying forces. We present a simple linear-response model of screened charge interactions that provides an alternative understanding of solvation barriers. Moreover, it explains the “anti-Coulomb” interactions (attraction between like-charged ions and repulsion between opposite-charged ions) observed in both simulations and experiments. We show that this is a universal behavior associated to the nonlocal response function of any dielectric or metallic systems. Published by the American Physical Society 2024
Source: Physical Review Research
Institutions: Stony Brook University, Universidad Autónoma de Madrid
Language: English
Subfield: Physical and Theoretical Chemistry
Field: Chemistry
Domain: Physical Sciences
Open Access status: gold
Estimated APC paid: $2,625
Awards: G3198771210, COMPUTATIONAL CHEMICAL SCIENCE CENTER: CHEMISTRY IN SOLUTION AND AT INTERFACES, G4453265649, Category II : Ookami: A high-productivity path to frontiers of scientific discovery enabled by exascale system technologies, COMPUTATIONAL CHEMICAL SCIENCE CENTER: CHEMISTRY IN SOLUTION AND AT INTERFACES, G5027037093, MRI: Acquisition of SeaWulf - A Reconfigurable Computer System for Research and Education, MRI: Acquisition of a computer system for Research and Education – Seawulf
OpenAlex ID: W4400914968