Quantitative Phase Field Model for Electrochemical Systems

• DOI: 10.1149/1945-7111/ad0ff6
• Publication Date: 2023-11-27T22:22:40Z
• Authors: Jin Zhang; Alexander F. Chad...; Peter W. Voorhees
• Keywords: Overpotential; Isothermal process; Representation

Modeling microstructure evolution in electrochemical systems is vital for understanding the mechanism of various processes. In this work, we propose a general phase field framework that fully variational and thus guarantees energy decreases upon an isothermal system. The bulk interface free energies are decoupled using grand potential formulation to enhance numerical efficiency. definition overpotential used, reaction kinetics incorporated into equation correctly capture capillary effects eliminate additional model parameter calibrations. A higher-order kinetic correction derived accurately reproduce models such as Butler-Volmer, Marcus, Marcus-Hush-Chidsey models. Electrostatic potentials electrode electrolyte considered separately independent variables, providing freedom interfacial jump. To handle realistic materials processing parameters practical applications, driving force extension method used grid size by three orders magnitude. Finally, comprehensively verify our classical theory.