Structural topology optimization and irreversibility analysis in an electrochemical reaction-diffusion system

Further performance enhancement of electrochemical energy devices could facilitate their extensive utilization and accelerate the shift towards sustainable energies. The present study aims to develop a two-dimensional mathematical model to assess the performance of a simplified representative electrode. To accomplish so, the performance of an electrochemical reaction-diffusion system, comprising mass and charged transport phenomena coupled with an electrochemical reaction, is examined. Furthermore, to increase the overall electrochemical reaction rate, the spatial distribution of constituent materials of this porous reactor is optimized using a topology optimization technique. To obtain a better understanding of the physicochemical mechanisms of this system during the optimization process, a numerical model is developed to analyse the irreversibilities in the present system. The heterogeneous material distribution obtained from topology optimization leads to a 76% improvement in the overall reaction rate. Moreover, the optimal design corresponds to a lower scaled entropy generation rate.