A Computational Fluid Dynamics–Discrete Element Method Model for Physics‐Based Simulation of Structure Formation during Battery Electrode Drying

Abstract

Drying is a critical process step during battery electrode production due to its microstructure defining nature. Distribution and interconnectivity of active material particles, pores, and the overall porosity significantly influence the later cell performance. Knowledge about structure formation as well as electrode property prediction are crucial for optimization and targeted electrode design. However, the exact microprocesses during electrode drying are not yet understood well and very difficult to access experimentally. Therefore, in this study, a combination of computational fluid dynamics (CFD) and discrete element method (DEM) simulation models for investigating structure formation considering particle–particle as well as fluid‐particle interactions and vice versa is presented. , The volume of fluid method is used for taking into account the fluid‐fluid interface, evaporation and capillary interactions. The simulations reveal the formation of a top–down consolidation front which interacts with the fluid leading to a backflow of liquid. The results show good agreement with experimental measurements for NMC622 cathodes. Furthermore, the influence of production parameters such as mass loading and solids content is examined. The findings demonstrate the modeling tool's suitability for process engineers to anticipate and enhance electrode characteristics and facilitate scientists to understand complex structure formation relationships.