有限元数值模拟在高性能锂二次电池设计中的应用进展

doi:10.11949/0438-1157.20241152

化工学报 ›› 2024, Vol. 75 ›› Issue (11): 3896-3910.DOI: 10.11949/0438-1157.20241152

有限元数值模拟在高性能锂二次电池设计中的应用进展

刘朔¹(), 宋雪旦²(), 聂全灏², 张强¹, 杨艺¹, 于畅¹(), 邱介山³()

^1.大连理工大学化工学院，辽宁省能源材料化工重点实验室，精细化工国家重点实验室，智能材料化工前沿科学中心，辽宁大连 116024
^2.大连理工大学化学学院，辽宁大连 116024
^3.北京化工大学化学工程学院，北京 100029

收稿日期:2024-10-18 修回日期:2024-11-25 出版日期:2024-11-25 发布日期:2024-12-26
通讯作者: 宋雪旦,于畅,邱介山
作者简介:刘朔（1999—），男，硕士研究生，shuo_liu@mail.dlut.edu.cn
基金资助:
国家重点研发计划项目(2022YFB4101602);国家自然科学基金项目(22078052);中央高校基本科研业务费专项资金(DUT23LAB612)

Application progress of finite element method numerical simulation in the design of high-performance lithium secondary batteries

Shuo LIU¹(), Xuedan SONG²(), Quanhao NIE², Qiang ZHANG¹, Yi YANG¹, Chang YU¹(), Jieshan QIU³()

^1.State Key Laboratory of Fine Chemicals, Liaoning Key Laboratory for Energy Materials and Chemical Engineering, Frontier Science Center for Smart Materials, School of Chemical Engineering, Dalian University of Technology, Dalian 116024, Liaoning, China
^2.School of Chemistry, Dalian University of Technology, Dalian 116024, Liaoning, China
^3.College of Chemical Engineering, Beijing University of Chemical Technology, Beijing 100029, China

Received:2024-10-18 Revised:2024-11-25 Online:2024-11-25 Published:2024-12-26
Contact: Xuedan SONG, Chang YU, Jieshan QIU

摘要/Abstract

摘要：

锂二次电池凭借成本低、电压平台高和环境友好等优点备受关注，日益复杂的应用场景对锂二次电池的容量、耐候性以及安全性等提出了更高的要求。阐明复杂工况下材料结构与电池性能之间的“构-效”关系并预测不同服役工况下的电池性能，对开发出性能更高和适应场景更宽的锂二次电池至关重要。有限元（FEM）数值模拟是基于电场、温度场和力学场等物理场耦合建立电池数值模型，描述电池内部的物质传递、热量传递及界面反应过程的有效方法，能够揭示不同服役工况下材料结构与电池性能的内在规律关系，为高性能锂二次电池设计和开发提供了理论和技术支撑。本文从多物理场耦合方面介绍了电池体系中FEM数值模拟的算法基础、研究范畴和发展历程，综述了FEM数值模拟在高性能锂二次电池设计中的研究进展，展望了未来发展方向及其在储能器件中的应用前景。

关键词: 电化学, 数值模拟, 有限元, 锂二次电池

Abstract:

Lithium secondary batteries (LSBs) have attracted attention due to their low cost, high voltage platform and environmentally friendly nature. As application scenarios become more complex, the demands on the capacity, durability and safety of LSBs are increasing. To develop LSBs with higher performance and greater adaptability to different scenarios, it's essential to elucidate the relationship between material structure and battery performance under complex operating conditions, and to predict battery performance under different operating conditions. Finite element method (FEM) numerical simulation is an effective method to establish a numerical model of the battery by using physical fields such as electric field, temperature field and displacement field to describe the mass transfer, heat transfer and interfacial reaction process within the battery. FEM numerical simulation can reveal the intrinsic relationship between material structure and battery performance under different operating conditions, providing theoretical and technical support for the design and development of high-performance lithium batteries. This paper first introduces the algorithm basis, research scope and development history of FEM numerical simulation in battery system from the perspective of multi-physical field coupling, summarizes the research progress of FEM numerical simulation in the design of high-performance lithium secondary batteries, and looks forward to the future development direction and its application prospects in energy storage devices.

Key words: electrochemistry, numerical simulation, finite element method, lithium secondary battery

中图分类号:

TM 911

刘朔, 宋雪旦, 聂全灏, 张强, 杨艺, 于畅, 邱介山. 有限元数值模拟在高性能锂二次电池设计中的应用进展[J]. 化工学报, 2024, 75(11): 3896-3910.

Shuo LIU, Xuedan SONG, Quanhao NIE, Qiang ZHANG, Yi YANG, Chang YU, Jieshan QIU. Application progress of finite element method numerical simulation in the design of high-performance lithium secondary batteries[J]. CIESC Journal, 2024, 75(11): 3896-3910.

图/表 5

图1 有限元数值模拟在高性能锂二次电池设计中的应用

Fig.1 Applications of FEM numerical simulation to the design of high-performance lithium secondary batteries

图2 电池体系中有限元数值模拟的发展历程

Fig.2 Development of FEM numerical simulation in battery systems

图3 (a)三维纳米微观电极结构模型；(b)不同纤维密度碳纸中氧气流速

Fig.3 (a) 3D microstructure-resolved model; (b) Oxygen flow rates in carbon paper with different fiber densities

图4 (a)纳米纤维与铜箔表面电流密度分布；(b) PANI&MF材料中的锂枝晶生长过程；(c)不同锂负极形貌及其表面电流密度分布； (d) 有/无富锂反钙钛矿（LiRAP）膜时的锂沉积过程

Fig.4 (a) Current density distribution on the surface of nanofibers and copper foils; (b) Growth process of lithium dendrites in PANI&MF materials; (c) Current density distribution on the surface of lithium anode with different morphologies; (d) Lithium deposition process with/without lithium-rich antiperovskites (LiRAP) membrane

图5 (a)极片焊接过程电池的温度分布；(b) 锂沉积区域直径随磁通量密度的变化；(c) 软包电池针刺位置；(d) 不同倍率下电池的容量损失；(e) 电池负极电位随时间变化；(f) 电池组温度分布

Fig.5 (a) Temperature distribution of the cell during electrode welding; (b) Variation of lithium deposition region diameter with magnetic flux; (c) Position of pinning for soft pack batteries; (d) Capacity loss of batteries at various current; (e) Anode potential over time; (f) Temperature distribution in the battery pack

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有限元数值模拟在高性能锂二次电池设计中的应用进展

Application progress of finite element method numerical simulation in the design of high-performance lithium secondary batteries

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