Dresden 2009 – scientific programme

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 5: Interfaces

CPP 5.4: Talk

Monday, March 23, 2009, 11:15–11:30, ZEU 160

A thermodynamically consistent view of ion adsorption at interfaces — •Dominik Horinek, Nadine Schwierz, and Roland R. Netz — Physik Department, Technische Universität München, 85748 Garching, Germany

The implications of ion adsorption at water/solid interfaces are relevant in many biological, chemical, and physical processes. The adsorption shows a very ion-specific behavior, which leads to the so-called Hofmeister series. In recent years this subject has moved into the focus of atomistic computer simulations. In such simulations, one key problem is the proper choice of the ionic force field: the bulk solvation properties and the affinity to interfaces are very sensitive on the ion parameterization. We demonstrate that a thermodynamically consistent description of bulk solvation is compatible with ion adsorption of large anions at hydrophobic interfaces even if the force field is free of atomic polarizabilities. At polar interfaces, the Hofmeister series is reversed, and small ions have a higher affinity to the interface than large ions.