Fast computing flow battery modeling to optimize the choice of electrolytes and operating conditions – application to aqueous organic electrolytes

We have developed a 0D model of aqueous organic redox flow battery to better understanding the impact oxygen and hydrogen evolution as parasitic side reaction on performances. This lumped approach is able account for multiple processes at each electrode, which, our knowledge has not been described in literature. In this article study focused alkaline validated 2,6-dihydroanthraquinone/ferrocyanide electrolytes laboratory full cell level. The considers electrochemical reactions, electrolyte rate, diffusion electroactive molecules from bulk sites, transfer cations through perfluorosulfonic membrane ohmic losses. Furthermore, reactions accounted include reduction oxidation water modeled with Tafel slopes. Thanks approach, we highlight non-negligible role these conditions. used tool optimize operating conditions well predict most advantageous potential enhance performances limit reactions. For example, under condition (pH = 14), negolyte standard can be targeted -0.8 V without competing HER, however, posolyte must kept below 0.65 avoid competition OER.