Multiphysics and multizone modeling of electrically switched ion exchange with self‐driven adsorption for Li+ extraction

Abstract Electrically switched ion exchange (ESIX) is a promising approach for extracting Li + from brines with high Mg/Li ratios. However, the effect of operating conditions and film electrode parameters on electrochemical performance remains unclear. Herein, a dynamic multiphysics and multizone model was developed to describe the ESIX process with self‐driven adsorption, using an LMO/PPy electrode pair for ion and charge transport. The results revealed that a flow velocity of 0.0125 m/s and a PPy/LMO mass ratio of 15:1 can effectively reduce Li + concentration polarization and activate electroactive sites, respectively. Additionally, the high solid volume fraction of LMO particles increases the concentration difference of electroactive sites, thereby enhancing Li + extraction performance. Meanwhile, low currents (≤25 mA/g) narrow the gap between the interfacial exchange current and the applied current, hence improving Li + extraction efficiency. This model serves as an efficient in‐silico tool for designing and optimizing electrochemical Li + extraction processes.