Anti-Coulomb ion-ion interactions: a theoretical and computational study
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arXiv
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| Auteurs principaux: | , , , , , |
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| Format: | Preprint |
| Publié: |
2024
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| _version_ | 1866909228567887872 |
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| author | Wills, Alec Mannino, Anthony Losada, Isidro Mayo, Sara G. Soler, Jose M. Fernandez-Serra, Marivi |
| author_facet | Wills, Alec Mannino, Anthony Losada, Isidro Mayo, Sara G. Soler, Jose M. Fernandez-Serra, Marivi |
| contents | 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. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2404_02824 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Anti-Coulomb ion-ion interactions: a theoretical and computational study Wills, Alec Mannino, Anthony Losada, Isidro Mayo, Sara G. Soler, Jose M. Fernandez-Serra, Marivi Soft Condensed Matter Chemical Physics Computational Physics 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. |
| title | Anti-Coulomb ion-ion interactions: a theoretical and computational study |
| topic | Soft Condensed Matter Chemical Physics Computational Physics |
| url | https://arxiv.org/abs/2404.02824 |