Overview on Theoretical Simulations of Lithium‐Ion Batteries and Their Application to Battery Separators

For the proper design and evaluation of next-generation lithium-ion batteries, different physical-chemical scales have to be considered. Taking into account electrochemical principles methods that govern processes occurring in battery, present review describes main theoretical thermal models allow simulation performance including materials components (electrodes separators) battery geometries. As separator plays an essential role safety recent work for this component are shown, with particular emphasis on morphology, dendrite growth, ionic transport, mechanical properties. Further simulations modeling still required improving performance, taking consideration varying geometric parameters such as pore size, porosity, tortuosity well optimization lithium diffusion process conductivity value. Theoretical separators will play new generation allowing improvement their while reducing experimental probes time.