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O: Fachverband Oberflächenphysik

O 32: Poster: Solid-Liquid Interfaces

O 32.16: Poster

Dienstag, 19. März 2024, 18:00–20:00, Poster C

Interfacial behavior of Perchlorate and Sodium Perchlorate in Air/Water Interface at varying concentrations — •Christina Susan Abraham and Marialore Sulpizi — Department of Physics, Ruhr Universität Bochum, 44780 Bochum, Germany

The presence of polarizable anions at aqueous interfaces has important implications that are relevant to both technological and environmental processes. Consequently, there has been a growing interest in understanding the propensity of anions at the air/water interface. While the behavior of the anions at interfaces has been studied, the effect of increased anionic concentrations at the air/water interface is still not very clear. This becomes important particularly in the field of aqueous based electrolytes where higher concentrations would directly affect the voltage window. In this study we have investigated the interfacial behavior of HClO4 and NaClO4 salt solutions employing AIMD simulations. The concentrations explored in this investigation span a spectrum from low (1M) to high (12M). As the salt concentration increases, the ion*water interactions show significant changes, not only in comparison with the lower concentrations but also with respect to the bulk HClO4/NaClO4-water systems.

Keywords: air/water interfaces; AIMD; Polarizable anions; Ion–water interactions