2018/10/19 by Hélène Berthoumieux, Berthoumieux, Hélène, Fabien Paillusson +1 · 2 citations
Chemistry · Materials Science · Physics and Astronomy · #Chemical Physics (physics.chem-ph) #Electrostatics and Colloid Interactions #FOS: Physical sciences #Material Dynamics and Properties #Soft Condensed Matter (cond-mat.soft) #Spectroscopy and Quantum Chemical Studies
paper · pdf · doi:10.48550/arxiv.1810.08690
openalex publication_date 2018/10/19 · openalex created_date 2018/10/26 · openalex updated_date 2026/07/28
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.