论文标题
FES2转换阴极电池的伪两维(P2D)模型
A Pseudo-Two-Dimensional (P2D) Model for FeS2 Conversion Cathode Batteries
论文作者
论文摘要
由于其高理论能量和功率密度,转化阴极材料引起了二级电池的兴趣。但是,目前,作为二级电池材料的实际应用受到实际问题的限制,例如循环性差。为了更好地理解这些材料,我们开发了用于转化阴极的伪两维模型。我们将此模型应用于FES2-一种经过插入的材料,然后在放电期间进行转换。该模型源自半细胞的Doyle-Fuller-Newman模型,其添加了其他损失项,以反映反应进展的转化后壳电阻。我们还通过结合可变的活性表面积和有效粒子半径来考虑多分散的活动材料颗粒。使用该模型,我们表明FES2的主要损失机制与通过转化的壳体材料通过固态扩散和电运限制有关。多分散模拟也与单分散系统进行了比较,我们表明多分散性对插际行为的影响很小,但导致转换反应期间的容量损失。我们将代码作为开源Python电池数学建模(PYBAMM)模型,可用于识别其他转换阴极材料的性能限制。
Conversion cathode materials are gaining interest for secondary batteries due to their high theoretical energy and power density. However, practical application as a secondary battery material is currently limited by practical issues such as poor cyclability. To better understand these materials, we have developed a pseudo-two-dimensional model for conversion cathodes. We apply this model to FeS2 - a material that undergoes intercalation followed by conversion during discharge. The model is derived from the half-cell Doyle-Fuller-Newman model with additional loss terms added to reflect the converted shell resistance as the reaction progresses. We also account for polydisperse active material particles by incorporating a variable active surface area and effective particle radius. Using the model, we show that the leading loss mechanisms for FeS2 are associated with solid-state diffusion and electrical transport limitations through the converted shell material. The polydisperse simulations are also compared to a monodisperse system, and we show that polydispersity has very little effect on the intercalation behavior yet leads to capacity loss during the conversion reaction. We provide the code as an open-source Python Battery Mathematical Modelling (PyBaMM) model that can be used to identify performance limitations for other conversion cathode materials.