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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 12: Poster 1

CPP 12.11: Poster

Montag, 5. September 2022, 18:00–20:00, P1

Narrow Gap Flow Electrolysis Cells: Atomistic Computer Simulation of Electric Field Effects on Water/Organic Mixtures — •Anastasios Sourpis and Friederike Schmid — Johannes Gutenberg University, Mainz, Germany

Electrolyte-free electrolysis fuel cells are central to a sustainable future with clean water. With growing industrial development, for example, toxic heavy metals, radioactive ions, and inorganic compounds are increasingly discharged into the environment and our sources of drinking water. In novel cutting-edge developed electrolysis fuel cells [1] the case of electrolyte-free electrolysis has been observed for mixtures of water and acetonitrile. These high modular flow cells of electro organic synthesis are very promising for the production of fine chemicals and pharmaceutically active agents. The purpose of this study is to qualitatively and quantitatively evaluate the effect of electric fields on electrolysis cells. Especially in the case of acetonitrile and water mixtures, we have focused on understanding by atomistic simulations the existence of the electrical conductance and how this can be described on larger scales.