Development of 3D models for electrochemical reactor setups
We will use 3D models to resolve the pore-scale interplay of diffusion, migration, advection and mean field chemical kinetics in structured porous and bi-porous media. This will allow us to improve flooded agglomerate models for example, and to investigate electrokinetic effects in porous electrodes. We will also investigate the influence of the pore size (distribution) on the formation and transport of gas bubbles. Such 3D models allow us to optimize conditions for each of the product lines, including the current. In most product lines the limited solubility of reactants can lead to limiting currents or high concentration polarization at high current densities. Similarly, limited solubility of gaseous products can lead to undesirable bubble formation inside the electrodes. We will provide quantitative guidance on how to optimize the designs with respect to these problems. Our results will be validated by comparison with experiments, not only from the current project, but also from the other projects and from the industrial users. To enable this, visits to industrial partners and the other labs within this proposal are planned to tailor the modelling efforts to the needs of individual products.