Regensburg 2019 – wissenschaftliches Programm
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DY: Fachverband Dynamik und Statistische Physik
DY 13: Wetting, Fluidics and Liquids at Interfaces and Surfaces (joint session CPP/DY)
DY 13.5: Vortrag
Dienstag, 2. April 2019, 10:30–10:45, H13
Testing dielectric continuum theory at interfaces by atomistic simulations — •Philip Loche1, Cihan Ayaz1, Alexander Schlaich1,2, Douwe Jan Bonthuis1, and Roland R. Netz1 — 1Fachbereich Physik, Freie Universität Berlin, Arnimallee 14, 14195 Berlin, Germany — 2Laboratoire Interdisciplinaire de Physique, CNRS and Université Grenoble Alpes, UMR CNRS 5588, 38000 Grenoble, France
Based on fully atomistic simulations of ions in water, we discuss the validity of continuum models for the dielectric response at aqueous interfaces. For the electrostatic energy of an ion in the vicinity of a hydrophobic graphene surface we find the electrostatic contribution to be dominated by the non-electrostatic contribution. Linear dielectric theory breaks down, and to quantitatively describe the linear dielectric contribution an anisotropic tensorial dielectric model is needed. This demonstrates the limitation of current continuum models for the dielectric response at interfaces.