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开源多孔电极理论模型的性能基准
Surya Mitra Ayalasomayajula1, Daniel Cogswell2, Debbie Zhuang2
1School of Material Engineering, Purdue University, West Lafayette, IN, 47906, United States of America.
Heliyon
|April 11, 2024
概括
本研究对电池模拟的多孔电极理论 (PET) 模型进行了基准测试. 虽然模型显示类似的电压响应,但它们的内部电化学配置不同,这可能导致对电池性能的不同结论.
科学领域:
- 电化学 电化学 电化学
- 材料科学 材料科学 材料科学
- 计算建模 计算建模
背景情况:
- 孔电极理论 (PET) 模型对于模拟电池电化学行为至关重要.
- 现有和新兴的PET模型需要进行基准测试,以了解它们的准确性和局限性.
- Mn2O4-石墨电池广泛用于电池研究和应用.
研究的目的:
- 为了对各种多孔电极理论 (PET) 模型的电化学反应特征进行比较.
- 为评估PET模型的物理范围,局限性和准确性建立一个共同的基础.
- 将双,MPET和LIONSIMBA模型的模拟精度与实验数据进行比较.
主要方法:
- 三个开源PET模型的基准测试:双,MPET和LIONSIMBA.
- 使用选定的PET模型模拟LiMn2O4-石墨电池放电.
- 模拟放电电压曲线与各种C率的实验数据的比较.
主要成果:
- 这三种模型 (双叶片,MPET,LIONSIMBA) 都显示出与2C以下的实验数据有很好的一致性 (<4%的偏差).
- 在较高的C率 (>3C) 时,双和MPET与实验相比显示较小的偏差 (<5%).
- 在模型中观察到电化学配置文件的显著质量差异,尽管宏观电压反应相似.
结论:
- PET模型可以准确预测宏观电池电压响应,特别是在较低的充/放电速率下.
- 模拟电化学配置文件的质量差异可能导致对电池性能和退化进行不同的解释.
- 精心选择和验证PET模型对于准确的电池系统分析至关重要.
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