Influence of reaction-diffusion parameters on topologically optimized porosity distribution in reaction-diffusion systems considering temperature dependence

Advancement in electrochemical energy storage and conversion (ESC) holds great promise for sustainable societal development. Various techniques have been explored to enhance ESC performance through electrode modifications, such as catalyst utilization, heat treatment, optimization of shape and size, and design of porous structures. Recently, topology optimization (TO) has gained traction in the ESC field for its capability in designing porous electrode structures, resulting in notable performance enhancements. However, the influence of temperature on the system, a critical aspect in ESC devices, has often been overlooked. In this study, we thoroughly investigated the effects of reaction-diffusion parameters, including bulk diffusivity, bulk reaction, a diffusivity penalty exponent, and reaction penalty exponent, along with temperature distribution, on topologically optimized porosity within a simple reaction-diffusion system. We obtained optimized porosity distributions based on various parameters. A comparative analysis was conducted between models with and without temperature dependence, and the resulting porosity distributions are discussed. Our findings reveal that when considering temperature variations, there was a significant impact on the optimized porosity, leading to a greater void fraction compared to a system assuming isothermal conditions. Additionally, a system with temperature dependence showed a significant increase in the overall reaction rate compared to a system without temperature dependence. However, this led to excessive temperature variation within the system. This study sheds light on the significance of reaction-diffusion equation parameters in their contribution to a topologically optimized porous structure. It reflects the real system by considering the effects of temperature, providing valuable insights for designing efficient ESC devices.