Dresden 2017 – wissenschaftliches Programm
CPP 62.3: Vortrag
Donnerstag, 23. März 2017, 15:30–15:45, ZEU 255
Comparing models of electrolyte solutions at curved electrodes — •Andreas Reindl, Markus Bier, and Siegfried Dietrich — Max Planck Institute for Intelligent Systems, Stuttgart, Germany
The proper functioning of many natural and artificial systems relies on an electrically charged substrate in contact with an electrolyte solution. As real substrates are typically rough, one has to reckon with properties deviating from those of idealised models based on smooth planar walls. In the present study we consider electrolyte solutions in contact with curved electrodes of spherical and cylindrical shape. Whereas these types of wall shapes have been investigated already in the past, the previous studies concentrated on specific models, without comparing different levels of sophistication. Here a variety of models within density functional theory are applied in order to describe the structure of the electrolyte solutions, and the differential capacitance was chosen as the central observable to characterise the electrical double layer. This procedure facilitates to compare results of different model calculations as a function of the electrode curvature. The mesoscopic Poisson-Boltzmann description allows for a detailed analysis and can be used as a gauge for more complex models. Within the so-called civilized model microscopic details such as particle volumes and solvent molecules with embedded dipole moments are taken into account. The influence of these microscopic parameters can be judged in comparison with simpler models.
Reference: A. Reindl, M. Bier, and S. Dietrich, in preparation.