Anti-Coulomb ion-ion interactions: a theoretical and computational study

The free energy of ion solvation can be decomposed into enthalpic and entropic contributions. This helps 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 un...

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Hauptverfasser: Wills, Alec, Mannino, Anthony, Losada, Isidro, Mayo, Sara G, Soler, Jose M, Fernandez-Serra, Marivi
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Sprache:eng
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Zusammenfassung:The free energy of ion solvation can be decomposed into enthalpic and entropic contributions. This helps 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 non-local response function of any dielectric or metallic system.
DOI:10.48550/arxiv.2404.02824