Electrochemical Fundamentals | Computational Modeling of Electrode Reactions and Cells

Kurzfassung

The modeling of electrochemical cells is an expanding domain of scientific research. One motivation is the characterization and optimization of commercial lithium-ion batteries. Another motivation is the search for next-generation battery designs. Simulations help to understand and improve the interplay of battery components. Here, we present the theory of multiscale electrochemical systems. We discuss the underlying principles of thermodynamics and deduce the theory of electrolyte transport. In combination with a model for the reaction rates at electrode surfaces, this theory is the basis for describing the behavior of electrochemical cells. Finally, we give examples of specialized modeling on different length scales.