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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 56: Focus: Computational Methods for the Energy Transition: Paving the Road to Future Materials and Storage Systems - organized by Stephan Kramer and Jochen Zausch

CPP 56.4: Vortrag

Donnerstag, 4. April 2019, 16:15–16:30, H14

Combining physical and network modeling for the simulation of lithium ion batteries — •Dion Wilde and Jochen Zausch — Fraunhofer-Institute for Applied Mathematics, Kaiserslautern, Germany

For battery development numerical simulation methods can help to optimize and understand cell properties or to investigate degradation behavior. In this context physical continuum models play an important role. The drawback of these models is that the numerical solutions of the partial differential equations require significant computational effort. In applications an electrical equivalent circuit model (ECM) is often sufficient to describe the effects of interest and can be solved more efficiently. However, the parameterization of such models typically require parameter fitting since the input parameters don't have direct physical meaning. In our approach we combine a physically correct electrochemical model and the computationally fast equivalent-circuit model to formulate a physics-based equivalent circuit model which is directly linked to electrochemical parameters. The ECM is derived from the Newman model containing an element modeling the Butler-Volmer equation as well as a state-of-charge dependent voltage source representing the OCV of the designed material and resistors for electron/ion diffusion in the solid/electrolyte. Also the extension to electrochemical impedance spectroscopy is straight-forward. The system is solved by the mesh current method in python. In this contribution we will present our physical and ECM models and present a comparison between the two approaches.