Advancing the prediction of bath penetration and electrochemical degradation in Hall-Héroult cell cathodes: Insights into ionic species transport in a porous electrode model

This study presents a groundbreaking approach to modeling the Hall-Héroult cathode used in aluminum production. Our innovative model is grounded in a sophisticated porous electrode methodology coupled with state-of-the-art numerical simulations. This enables us to capture the intricate physicochemical processes within the system precisely, encompassing the migration, diffusion, and convection of ionic species. A key feature of our model is the integration of detailed electrochemical reaction kinetics at the microscale, providing a nuanced understanding of the internal dynamics of the cathode. Furthermore, we have incorporated a unique penalization method that rigorously enforces the principles of electroneutrality and ionic thermodynamic equilibrium, ensuring the model's fidelity to real-world phenomena. Computational simulation using the finite element method (FEM) serves as the backbone of our model, offering unparalleled accuracy and robustness. This has been confirmed through validation against empirical data, underlining the model's potential to significantly enhance both the efficiency and sustainability of aluminum production processes.•Development of an advanced porous electrode model for the Hall-Héroult process, utilizing numerical simulations42 to unravel complex physicochemical dynamics.•Incorporation of a novel penalization method for ensuring electroneutrality and thermodynamic equilibrium, enhancing 44 model accuracy.•Validation of the model against empirical data using FEM, demonstrating potential improvements in aluminum 46 production efficiency and sustainability.