Modeling Electrochemical Reaction Rates at Fluid-Solid Interfaces

Explore advanced electrochemical modeling techniques in this 41-minute conference presentation that introduces an innovative approach to understanding reaction rates at fluid-solid interfaces. Learn about the limitations of the traditional Butler-Volmer model, particularly under extreme conditions involving large currents and high overpotentials, and discover how a new MHC variant addresses these shortcomings by explicitly incorporating the electronic density of states of the solid side at solid-electrolyte interfaces. Examine a comprehensive software package developed in Julia that implements this advanced model alongside various standard electrochemical rate models, enabling the construction of multidimensional phase maps across parameters such as composition, current, temperature, and other model variables. Understand how automatic differentiation capabilities in Julia facilitate smooth and efficient handling of complex mathematical formulations involving integrals and inverse functions. See practical demonstrations of the software's capabilities for comparing different model types, fitting experimental data, and generating detailed phase maps that provide deeper insights into electrochemical system behavior under varying conditions.