论文标题
更少的可能是：从2D直接数值模拟中电极微结构在氧化还原流量电池中的作用的见解
Less can be more: Insights on the role of electrode microstructure in redox flow batteries from 2D direct numerical simulations
论文作者
论文摘要
了解如何构建多孔电极以促进流体，质量和电荷传输是增强电化学设备（例如燃料电池，电解液和氧化还原流量电池（RFB））性能的关键。使用平行的计算框架，对RFB的理想化多孔电极微结构进行了直接的数值模拟。从常规晶格开始改善电极设计的策略。我们观察到，通过在有序排列中引入空缺，尽管有降低了总反应性表面，但由于改善了反应性物种的混合，可以在给定的电流密度下实现更高的电压效率。仔细的空缺位置工程，导致密度梯度的表现优于无序配置。我们的仿真框架是探索RFB中传输现象的新工具，我们的发现提出了设计性能电极的新方法。
Understanding how to structure a porous electrode to facilitate fluid, mass, and charge transport is key to enhance the performance of electrochemical devices such as fuel cells, electrolyzers, and redox flow batteries (RFBs). Using a parallel computational framework, direct numerical simulations are carried out on idealized porous electrode microstructures for RFBs. Strategies to improve electrode design starting from a regular lattice are explored. We observe that by introducing vacancies in the ordered arrangement, it is possible to achieve higher voltage efficiency at a given current density, thanks to improved mixing of reactive species, despite reducing the total reactive surface. Careful engineering of the location of vacancies, resulting in a density gradient, outperforms disordered configurations. Our simulation framework is a new tool to explore transport phenomena in RFBs and our findings suggest new ways to design performant electrodes.
