Assessing the Versatility and Robustness of Pore Network Modeling to Simulate Redox Flow Battery Electrode Performance

Porous electrodes are core components that determine the performance of redox flow batteries. Thus, optimizing their microstructure is a powerful approach to reduce system costs. Here we present pore network modeling framework and chemistry agnostic, iteratively solves transport equations in both half-cells, utilizes network-in-series simulate local phenomena within porous at low computational cost. In this study, critically assess versatility robustness models enable different electrode geometries chemistries. To do so, proposed model was validated with two commonly used carbon fiber-based (a paper cloth), by extracting topologically equivalent networks from X-ray tomograms, evaluated for chemistries (an aqueous iron-based non-aqueous TEMPO-based electrolyte). We find successfully captures experimental electrolyte but less accurate which attributed incomplete wetting surface conducted experiments. Furthermore, validation reveals care must be taken when tomogram woven cloth electrode, features multiscale threaded fiber bundles. Employing model, elucidate structure-performance relationships leveraging profiles simulated distributions physical properties finally, deploy simulations identify efficient operation envelopes.