A multi-region and open-source computational fluid dynamic tool for electrochemical systems with three-dimensional electrodes

Abstract

In this work, a solver, implemented in OpenFOAM, is developed to investigate the mechanisms of ion transport through activated or resistive three-dimensional (3D) electrodes, and also leakage currents in the case of a bipolar connection. The transport model, which accounts for the balance of mass, momentum, species, and electric charge in the fluid, 3D and solid phases, was solved using a multi-region approach. The algorithm permits calculations for a fixed cell potential difference, and also for a current flowing through the cell under galvanostatic control. Analytical models and experimental results of the current and potential distribution are compared with the present tool, obtaining a close agreement between them. The model presented here is supplied as a free source code and can be employed to optimize both cell stack design and system operation conditions.