A Numerical Simulation of Evolution Processes and Entropy Generation for Optimal Architecture of an Electrochemical Reaction-Diffusion System: Comparison of Two Optimization Strategies

Abstract

Employment of electrochemical energy devices is being expanded as the world is shifting toward more sustainable power resources. To meet the required cost efficiency standards for commercialization, there is a need for optimal design of the electrodes. In this study, a topology optimization method is proposed to increase the performance of an electrochemical reaction-diffusion system. A dimensionless model is developed to characterize the transport and rate processes in the system. Two optimization strategies are introduced to improve system performance using a heterogeneous distribution of constituents. In addition, an entropy generation model is proposed to evaluate the system irreversibilities quantitatively. The findings show that the system performance could be enhanced up to 116.7% with an optimal tree-root-like structure. Such a heterogeneous material distribution provides a balance among various competing transport and rate processes. The proposed methodology could be employed in optimal design of electrodes for various electrochemical devices. This study also offers a fundamental comprehension of optimal designs by showing the connection between the optimal designs and the entropy generation. It is revealed that a less dissipating system corresponds to a more uniform current and entropy generation. Some recommendations are also made in choosing a proper optimization approach for electrochemical systems.

Numerical Modeling and Topology Optimization for Designing the Anode Catalyst Layer in Proton Exchange Membrane Water Electrolyzers Considering Mass Transport Limitation

“…Furthermore, elevating the model's complexity by taking into account the mechanism of oxygen bubble formulation would significantly influence the realism of structural alignment. An additional analysis related to entropy generation, developed from our research group's former literature, [37][38][39] could be applied to describe the optimized structure with physical meaning. This method could be conducted to observe the trend and coherence of the power consumption system, like PEMWE, and investigate the effect of incorporating temperature into the calculation system.…”

“…However, it is essential to acknowledge that TO is a mathematical methodology influenced by several factors, encompassing the objective function, algorithmic approach, and tuning parameters. Our research group [37][38][39] sought to bridge the outcomes derived from TO in reaction-diffusion systems with well-established theories, such as entropy generation analysis. This inspiration was drawn from the widespread application of entropy generation analysis in evaluating thermal systems.…”