近日，吕梁学院胡晔团队研究了LiFePO₄中锂离子插层化学-电化学动力学的颗粒相场模型。相关论文于2025年8月25日发表在《颗粒学报》杂志上。

研究组分析了锂离子电池材料中包含化学-电化学耦合的相场模型，特别是LiFePO₄，而不改变其橄榄石拓扑结构。并着重探索了电化学循环过程中锂离子在晶体结构内的异常扩散动力学。

该模型具有差分界面，由两个耦合的非线性二阶抛物方程组成。研究组验证了该模型符合熵增原理，并证明了初始边值问题存在全局解。模拟结果与Laffont研究报告的实验结果一致。

附：英文原文

Title: A particulate phase-field model for chemical-electrochemical dynamics of Li-ion intercalation in LiFePO4

Author: Fang Cheng b

Issue&Volume: 2025/08/25

Abstract: We investigated a phase-field model incorporating chemical-electrochemical coupling in Li-ion battery materials, particularly LiFePO4, without altering its olivine topology. This study emphasizes the anomalous diffusion dynamics of lithium ions within the crystal structure during electrochemical cycling. The model, featuring a diffusing interface, comprises two coupled nonlinear second-order parabolic equations. We validated that this model adheres to the principle of entropy increase and demonstrated that global solutions exist for the initial-boundary value problem. Simulation outcomes demonstrate consistency between lithium concentration evolution and interface motion with experimental results reported by research of Laffont.

DOI: 10.1016/j.partic.2025.08.011

Source: https://www.sciencedirect.com/science/article/abs/pii/S1674200125002214