Three-dimensional numerical simulation of oxygen isotope transport in lanthanum strontium manganese - Yttria-stabilized zirconia cathode of solid oxide fuel cell
Three-dimensional numerical simulation of oxygen isotope transport in lanthanum strontium manganese - Yttria-stabilized zirconia cathode of solid oxide fuel cell
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DOI：
10.1016/j.ijhydene.2023.01.349
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发表时间：
2023-02
影响因子：
7.2
通讯作者：
T. Shimura;T. Nagasawa;N. Shikazono;K. Hanamura
中科院分区：
文献类型：
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作者：
T. Shimura;T. Nagasawa;N. Shikazono;K. Hanamura
利用聚焦离子束扫描电子显微镜（FIB SEM）重建的三维微结构，通过数值模拟预测了固体氧化物燃料电池（SOFC）阴极中氧同位素18 O的浓度分布。首先对SOFC运行过程中的电化学反应进行了数值模拟，然后将浓度梯度引起的自扩散、电化学势场引起的迁移和三相界面处的电化学反应耦合起来，对18O的非稳态输运进行了模拟。预测结果与二次离子质谱法测量的18 O浓度进行了比较，结果表明两者具有定性一致性。因此，从电化学反应与实际电极微结构中18O浓度的直接相关性出发，讨论了电化学反应的影响。该方法为氧标记实验结果的解释提供了有用的信息，有助于更好地理解SOFC电极中的电化学反应机理。
Distribution of oxygen isotope18O concentration which was labeled in lanthanum strontium manganese (LSM) – yttria-stabilized zirconia (YSZ) cathode of a solid oxide fuel cell (SOFC) is predicted through numerical simulations using a three-dimensional microstructure which was reconstructed by a focused ion beam-scanning electron microscopy (FIB-SEM). The electrochemical reaction under the SOFC operation is first numerically simulated, then the unsteady18O transport is simulated by coupling self-diffusion by concentration gradient, migration by the electrochemical potential field, and electrochemical reaction at the triple phase boundaries. Predicted results were compared with the measured18O concentration by a secondary ion mass spectrometry taken at the intermediate plane of the reconstructed 3D microstructure, which showed qualitative consistency between them. Thus, from the direct correlation of the electrochemical reaction and18O concentration in an actual electrode microstructure, influence of electrochemical reaction was discussed. The present approach provides useful information for the interpretation of the oxygen labeling experiment results, which can cultivate better understanding of the electrochemical reaction mechanism in the SOFC electrodes.