Dielectric response in the vicinity of an ion: A nonlocal and nonlinear model of the dielectric properties of water

Berthoumieux, Helene and Paillusson, Fabien (2019) Dielectric response in the vicinity of an ion: A nonlocal and nonlinear model of the dielectric properties of water. The Journal of Chemical Physics, 150 (9). ISSN 0021-9606

Full content URL: https://doi.org/10.1063/1.5080183

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Dielectric response in the vicinity of an ion: A nonlocal and nonlinear model of the dielectric properties of water

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Item Type:Article
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Abstract

The goal of this work is to propose a simple continuous model that captures the dielectric properties of water at the nanometric scale. We write an electrostatic energy as a functional of the polarisation field containing a term in P4 and non-local Gaussian terms. Such an hamiltonian can reproduce two key properties of water: the saturation of the polarisation response of water in the presence of a strong electrostatic field and the nanometric dipolar correlations of the solvent molecules modifying the long range van der waals interaction. This model explores thus two fundamental aspects that have to be included in implicit models of electrolytes for a relevant description of electrostatic interactions at nanometric scales.

Keywords:water, electrolytes, field theory
Subjects:F Physical Sciences > F320 Chemical Physics
Divisions:College of Science > School of Mathematics and Physics
ID Code:35023
Deposited On:05 Apr 2019 14:20

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