Full parametrization of commercial 18650 battery cell for physics-based modelling

Kurzfassung

Battery technology is one of the key elements of the energy transition and a carbon-neutral future as it enables the transformation towards an energy system based on volatile renewable energy and allows integration of clean electricity into emission-free transport modes. Although current technology has facilitated its introduction in an increasing share of applications, ranging from consumer electronics to electric vehicles, further development is still required to leverage its full potential. This includes the decrease/substitution of critical raw materials, the improvement of safety and sustainability as well as continuously falling cost in order to fully realize its widespread implementation in affordable electric ve�hicles and beyond. While modelling and simulation has always been an integral part of the development process, the intensified cooperation between experimentalists and computational electrochemistry in recent years has led to the establishment of a new paradigm in the discovery, production and design process, as well as the digitalization of the subsequent battery testing. A critical part of any modelling process and prerequisite for an accurate description of the underlying processes is the effi�cient and precise parametrization of the simulation models. This requires extensive cooperation and alignment of experimental and modelling activities already at an early stage of research. It further includes optimization of the experimentalist workflow from data generation, its (preferably automatized) analysis, standardization and subsequent implementation of the cell pa�rameters into the modelling framework. Thus, data manage�ment becomes increasingly important as data-driven methods become more prevalent and as community efforts for sharing data become the norm. In the Horizon2020 LC-BAT5 project HYDRA, this collaborative approach is at the core of the development process and the aim on the experimental side is to establish a blueprint for parametrization of an equivalent circuit and physics-based P4D model, and to optimize and generalize this workflow for future use, e.g. by implementing the BIG-MAP battery ontology [1] and making analysis scripts and data freely available. The P4D model which will be presented in another contribution requires the most extensive parameter set which includes physicochemical parameters of the cell materials and components ranging from cell design, structural, transport, thermodynamic and kinetic parameters as given in Figure 1. In this contribution, the procedure for the full parametrization ofa commercial 18650 cylindrical cell which according to the analysis of the harvested active materials is based on a high-nickel NMC cathode and graphite-SiOx composite anode will be presented as reference case to introduce the workflow and the implementation of the above mentioned aspects.