Multiscale-Multiphysics Model for Optimization of Novel Ceramic MIEC Solid Oxide Fuel Cell Electrodes
Abstract
To significantly improve on the unavoidable degradation of state-of-the-art Solid oxide fuel cell (SOFC) anodes like Ni-YSZ, we elaborate on fully ceramic composite electrodes, which are based on mixed ionic and electronic conductors (MIEC) like doped ceria and perovskite materials. Thereby, a Digital Materials Design (DMD) framework is used for the systematic and model-based optimization of MIEC SOFC-electrodes. In our DMD approach we combine experimental methods, stochastic microstructure modeling, virtual testing of 3D microstructures and a multiscale-multiphysics electrode model. The electrode model developed in this contribution captures all the relevant physico-chemical processes involved like the transport of charge carriers in the two MIEC solid phases, transport of the gas species in the pore-phase and the reaction kinetics. A special emphasize is laid to the appropriate description of the microstructure effects, applying the previously reported DMD-methodologies. This model-based performance prediction enables to explore a much larger design space than it would be possible with experimental methods only.
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