The hydration of charged objects requires to go beyond standard continuum linear hydration models for two reasons: First, the dielectric response of water at interfaces varies with distance, is not isotropic but tensorial and is described by significantly different parallel and perpendicular dielectric profiles. This becomes particularly important in nanoconfinement, as recently shown in simulations and experiments. Second, the electric field produced even by monovalent ions is strong, and linear dielectric theory breaks down in the ionic vicinity. In fact, nonlinear and tensorial dielectric effects become particularly strong when ions (even monovalent ones) approach surfaces. This breakdown of standard isotropic linear dielectric theory has important consequences for the understanding and modeling of charged objects that cross interfaces or approach surfaces.

Beyond linear dielectric hydration models

2019 Fall National Meeting

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