高温固体氧化物燃料电池多孔电极结构介尺度研究方法

doi:10.16085/j.issn.1000-6613.2019-0887

摘要/Abstract

摘要：

高温固体氧化物燃料电池（SOFC）在可持续新能源领域具有广泛的研究与应用前景，多孔电极结构的本质特征是介尺度，这种特性对电极内物质传输和电池性能起着决定性作用。本文综述了应用于多孔电极结构的微尺度和介尺度的数值、物理研究方法以及介尺度耦合其他尺度的多尺度方法，分别讨论了各方法适用的研究内容、研究进展及其优缺点。通过分析得出，微尺度方法可精确模拟SOFC电极材料的微观特性，介尺度方法可重构复杂的电极微观结构、模拟三相反应，同时是研究电极微观结构和宏观模拟之间的重要桥梁，因此，介尺度与其他尺度方法的耦合可以较好地解决微观结构和多物理场耦合下的相互作用。在未来的研究中，降低介尺度及其耦合的多尺度方法的计算成本、发展先进的实验设备和可视化技术具有重要的研究潜力与价值。

关键词: 燃料电池, 多孔电极, 微尺度, 介尺度, 多尺度

Abstract:

Solid oxide fuel cells (SOFC) have extensive research and application prospects in sustainable new energy. The essential feature of porous electrode structure is mesoscale, which plays a decisive role in the material transport in the electrode as well as the battery performance. In this paper, the numerical and physical research methods at microscale and mesoscale applied to porous electrode structure, and the multiscale methods coupling mesoscale with other scales are reviewed. The applicable contents, progress, and advantages and disadvantages of each method are discussed respectively. Microscale method can accurately simulate the microscopic characteristics of SOFC electrode materials, while mesoscale method can reconstruct complex electrode microstructure and simulate three-phase reaction. At the same time, they build an important bridge between the study of electrode microstructure and macroscopic simulation. Therefore, the coupling mesoscale method with other scale methods can well probe the interaction of microstructure of multi-phase and under multi-physical field. In the future research, it has important potential and value to reduce the calculation cost of mesoscale method and its coupling with multiscale method, and to develop advanced experimental equipment and visualization technology.

Key words: fuel cells, porous electrodes, microscale, mesoscale, multiscale

中图分类号:

TM911.4

梁超余,王家堂,苗鹤,韩越,冯祥,叶伟强,袁金良. 高温固体氧化物燃料电池多孔电极结构介尺度研究方法[J]. 化工进展, 2020, 39(3): 906-915.

Chaoyu LIANG,Jiatang WANG,He MIAO,Yue HAN,Xiang FENG,Weiqiang YE,Jinliang YUAN. Review on the mesoscale research of porous electrode structure in SOFC[J]. Chemical Industry and Engineering Progress, 2020, 39(3): 906-915.

图/表 9

图1 Ni/YSZ纳米颗粒的初始状态与500ps后的烧结情况[23]

图2 SOFC介尺度模型[34]

图3 阴极铬中毒能谱仪图像与预测结果对比[34]

图4 DEM重构电极示意图[53]

图5 CG-MD重构阳极与TEM图像的对比[61]

图6 NiO/YSZ粗粒模型及其模拟烧结与TEM图像的对比[62]

图7 SOFC阳极多尺度框架及其一维模拟域与三维微尺度网格的关系[65]

图8 阳极TPB区域和详细电化学动力学示意图[66]

图9 宏-介-微尺度模型[73]

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