Regensburg 2019 – scientific programme

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 20: Wetting, Fluidics and Liquids at Interfaces and Surfaces (joint session CPP/DY)

CPP 20.5: Talk

Tuesday, April 2, 2019, 10:30–10:45, H13

Testing dielectric continuum theory at interfaces by atomistic simulations — •Philip Loche¹, Cihan Ayaz¹, Alexander Schlaich^1,2, 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.