Lattice Boltzmann Simulation of Flow, Transport, and Reactions in Battery Components

Microstructures of battery components largely affect electrochemical properties of the whole battery cell. In this context, especially physical phenomena occurring in their pores play a dominant role. However, experimental studies of these phenomena are hardly feasible. Therefore, the lattice Boltzmann method is applied to provide a detailed insight into the relevant processes at the pore scale. The following topics are covered: (1) electrolyte filling of structurally resolved lithium-ion battery electrodes, (2) impact of gas entrapment on battery performance, (3) development and validation of a new model for multi-phase flow in homogenized porous media, (4) chemical surface reactions, and (5) species transport in dynamically changing microstructures. The results give a first insight into how battery performance can be optimized by adapting structural and physico-chemical properties as well as process parameters.