In the third issue, we report on our visibility activities and recent developments in our compound screening infrastructure, our work on a reduced electrochemical interface model, and a pore-resolved continuum model for cell performance calculations.
In our second edition we briefly review the first half of the project and present our activities concerning the higher scales, such as a microCT scan of a graphite felt, our approach to numerical stack & system simulations and, finally, the total cost analysis for two lab-scale systems based on different electrolytes.
The Newsletter gives updates about the recent activities around the computational approaches to RFBs. The first version takes a quick tour through the lowest scales, starting from first principles calculations, proceeding via kinetic Monte Carlo simulations and finally culminating in continuum computations of a simplified cell.
Modelling for the search for new active materials for redox flow batteries