RFBniCS: An open-source simulation framework for redox flow batteries

Abstract

We present RFBniCS, an open-source finite-element framework implemented in FEniCSx for simulating redox-flow-battery (RFB) half-cells. RFBniCS solves an established macro-homogeneous porous-electrode model accounting for strongly coupled electrolyte flow, multicomponent species transport, ionic and electronic charge conservation, and interfacial Faradaic charge transfer. Different from other open-access tools, RFBniCS can perform transient RFB half-cell simulations in one-, two-, and three-dimensional geometries while explicitly resolving the transport of both redox-active and supporting-electrolyte species. It also describes electrolyte flow through porous electrodes and, in the three-dimensional formulation, through adjacent flow channels. To verify the implementation, RFBniCS's predictions in parameter-limiting regimes are compared against other published implementations, with RFBniCS generally showing superior accuracy and speed. We further demonstrate RFBniCS's capabilities by a simulation of the transient response of the negative half-cell of a vanadium redox flow battery, with a moderately concentrated supporting electrolyte. In the current implementation, RFBniCS provides the computational basis for studying redox-flow-battery half-cells and can be extended to complex flow-field designs, alternative chemistries, full-cell coupling, detailed membrane transport, and additional multiphysics effects.