固体氧化物燃料电池多重衰退机理及辨识研究

The performance degradation is one of the most critical issues for the commercialization of solid oxide fuel cells (SOFCs). The electrochemical reactions with SOFCs are alway accompied by many side chemical reactions due to gas impurity (i.e., air and fuel) and materials imcompatibility. These side reactions cause the change in the material compostions of electrodes and material performance degradation. Furthermore, the products of side reactions deposit in the electrodes and therefore change the porous structure of electrodes, which also causes the performance degradation and life decay of SOFCs. This project aims to investigate the multiple mechanisms of the performance degradation due to the side reactions via molecular dynamic simulations. The force field models between the relevant atoms for different side reactions will be developed. The evolution of the micro structure and material performances of electrodes caused by the side reactions will be elucidated. The dependances between the performance degradation and the operating conditions as well as the state variables are established to a model which is able to quantitively measure the life decay of SOFCs. An identification and diagnosis theory and methodology is developed based on a high accurate heat and mass transfer model and a two-dimensional array equivalent circuit - impedance spectroscopy model.

固体氧化物燃料电池（SOFC）寿命衰退控制是实现其商业化应用的重要研究课题。由于存在气体（燃料和空气）杂质和复合材料相容性问题，SOFC内部存在多重副反应而引起电极材料成份的不断变化和材料性能下降，且不同副化学反应生成物在SOFC电极内部积累而改变电极多孔介质微观结构，降低电池的发电性能和寿命。项目通过建立相关元素不同原子间分子力场和微观模型开展分子动力学模拟，揭示SOFC性能衰退多重理化过程发生和发展的反应机理和反应动力学参数以及不同理化过程导致电池结构、材料性能退化的分子动力学机理；阐明SOFC性能衰退与运行工况条件和状态变量之间函数依赖关系，构建多工况条件下定量分析和预测电池性能衰退模型；建立基于高精度传热传质模型二维阵列等效电路-阻抗普SOFC性能衰退多重理化过程辨识理论和方法。

固体氧化物燃料电池（SOFC）寿命衰退控制是实现其商业化应用的重要研究课题。项目建立了相关元素不同原子间分子力场和微观模型。开了展分子动力学模拟，揭示了SOFC性能衰退多重理化过程发生和发展的反应机理和反应动力学参数，以及不同理化过程导致电池结构、材料性能退化的分子动力学机理。阐明SOFC性能衰退与运行工况条件和状态变量之间函数依赖关系，构建多工况条件下定量分析和预测电池性能衰退模型。搭建了SOFC性能衰退多重理化过程辨识实验平台，开发了基于故障和非故障数据中进行学习的数据驱动的故障模型，将发展的辨识模型和方法在SOFC发电系统进行实验验证和示范。