The objective of UU research team is the construction of a finite element model to estimate the cell performance both, for conventional redox-flow battery models and the implementation of solid boosted flow batteries.

The cell model is developed using the software COMSOL Multiphysics. This model should be able to describe the complete electrochemistry of the cell, to predict the current production and cell voltage in order to be used as a predictive tool for the development of better batteries and identification of potential hotspots and domains where improvements are necessary. Nevertheless, the parameterization of this model requires a teamwork with the others work packages, using the data generated in experimental measurements and DFT calculations.

Parametric sweep is an important step to be performed in order to refine the developed model, considering all the parameters extracted from experiments and DFT. A rigorous study of the influence of electrode morphology, electrochemical kinetics, diffusion coefficients and other parameters is needed in order to create a predictive model for the battery performance evaluation. On the other hand, the aim is the generation of a data-set of mass-transfer coefficients obtained with the different parameters to be used in WP3 for the development of their 0D model.

In the last task, UU in collaboration with other WP will develop a more advanced model for a redox-flow battery, incorporating an electrochemical model for solid boosters. The addition of solid materials in the tank has demonstrated a disruptive enhancement in the battery performance and the objective of this task is the computational study of redox species interacting with soluble redox couple and including electrochemical models developed for conventional Li-ion batteries.