Micro-Scale Modeling of Li-Ion Batteries: Parameterization and Validation

A fully parameterized microscale model for lithium ion cells is presented in which the solid and pores (filled by electrolyte) are spatially resolved, and the mass and charge transport equations describing diffusion and migration in each phase are solved separately. Such a model allows: (1) the correlation of structure-scale, non-homogeneous material properties with macroscopic battery performance, and (2) the correlation of geometrical electrode morphology with macroscopic battery performance (electrode design). The micro-model approach discussed here allows for a simpler parameterization as fewer constitutive relations are needed in contrast to the macro-homogenous physical-based approaches. Input parameters were measured experimentally on lithium manganese oxide electrodes and LiPF 6 in 3:7 EC:DMC. Verification and validation for the model is also reported.