少即是多：从二维直接数值模拟看电极微观结构在氧化还原液流电池中的作用
Less can be more: Insights on the role of electrode microstructure in redox flow batteries from 2D direct numerical simulations
AI总结：
本研究通过二维直接数值模拟探究氧化还原液流电池电极微观结构的作用，发现引入空位甚至密度梯度空位结构可提升电压效率，为电极设计和传输现象研究提供了新方法与新思路。
摘要：
了解如何构建多孔电极结构以促进流体、质量和电荷传输，是提升燃料电池、电解槽和氧化还原液流电池（RFBs）等电化学器件性能的关键。本研究采用并行计算框架，对氧化还原液流电池的理想化多孔电极微观结构开展了直接数值模拟，探索了从规则晶格出发改进电极设计的策略。研究发现，尽管总反应表面积有所减少，但通过在有序排列中引入空位，反应物种的混合得到改善，因此可在给定电流密度下实现更高的电压效率。通过精心设计空位位置形成密度梯度的结构，其性能优于无序构型。本研究的模拟框架为探索氧化还原液流电池中的传输现象提供了新工具，研究结果也为高性能电极的设计提供了新思路。
英文摘要：
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.
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