Particle-based model for functional and diffusion layers of solid oxide cells electrodes

A novel particle-based model is proposed to generate synthetic yet representative 3D microstructures of typical SOC electrodes. The model steps can be related to the real electrode manufacturing routes, classically via powders processing, making it a practical tool for electrodes design optimization. The representativeness of the synthetic microstructures is checked on several two-phase (LSCF, LSC) and three-phase (Ni-YSZ) electrodes reconstructed by synchrotron X-ray and FIB-SEM tomography. The validation shows a very good agreement between the real and synthetic media in terms of metric, topological and physical properties. Furthermore, the model is adapted to simulate the microstructure of a typical Ni-YSZ current collecting layer by taking into account a bimodal pore-size-distribution. In this objective, the macro-pores resulting from the burning-off of specific pore-formers are morphologically separated in the reconstruction from the micro-porosity network. Finally, the geometrical features of the macro-pores are meticulously characterized and successfully emulated by using parametric ellipsoids. Morphological separation of the macropores resulting from the burning-off of specific pore-formers from the micro-porosity network coming from partial powders sintering and the NiO reduction in the X-ray tomographic reconstruction of the electrode substrate. This microstructure is thoroughly characterized and successfully simulated by the proposed particle-based model. [Display omitted] •Novel particle-based model for Solid Oxide Cell electrodes microstructure.•Synthetic microstructures for Ni-YSZ, LSCF and LSC functional layers.•Synthetic microstructure for Ni-YSZ substrate with a bimodal pore size distribution.•Model validated on large synchrotron X-ray holotomography 3D reconstructions.•Quantification of the different porosity length-scales within the substrate.