May 22, 11:00, SP2 416-1

ABSTRACT:

In this contribution, I will present a modeling and simulation framework for Lithium-ion battery cells [1,3]. I provide insights into a continuum model for a rather general intercalation battery cell based on non-equilibrium thermodynamics and put a strong emphasis on thermodynamic consistency, especially regarding the intercalation reaction rate and the concentration-dependent diffusion coefficients in the solid phase [1,3,4]. Periodic homogenization is then employed to derive a coupled two-scale PDE model, which accounts for slow diffusion in the intercalation phase [1,2]. I will show how unit cells with various particle sizes can be handled and discuss the transition to particle radii distribution functions [2,5]. Further, I will show some aspects of mesh generation for realistic microstructures of intercalation electrodes and the computation of the porous media parameters such as tortuosity and interfacial areas [2]. I will show numerical simulations for the cycling of a cell with various C-Rates, predicting a posteriori the cell voltage as a function of the status of charge. Finally, I will give an outlook on recent research on phase separating materials and their consistent embedding in (homogenized) porous media equations, predicting consistently hysteretic effects in the open circuit voltage [6].

[1] M. Landstorfer, M. Ohlberger , S. Rave, M. Tacke, European J. Appl. Math., 34 (2023), 554 [2] M. Landstorfer, B. Prifling, V. Schmidt, J. Comput. Phys., 431 (2021), 110071 [3] M. Landstorfer. J. Electrochem. Soc., 167, (2020), 013518 [4] M. Landstorfer. J. Electrochem. Soc., 164, (2017), 3671 [5] M. Landstorfer, in preparation [6] M. Heida, M. Landstorfer, in preparation