基于电化学模型的电池性能模拟与优化

doi:10.11949/0438-1157.20250239

化工学报 ›› 2025, Vol. 76 ›› Issue (9): 4922-4932.DOI: 10.11949/0438-1157.20250239

基于电化学模型的电池性能模拟与优化

赵婧¹(), 董书辰¹(), 李高洋¹, 黄友科¹, 石浩森¹, 缪舒文¹, 谭辰妍¹, 朱唐琦¹, 李永帅², 潘慧¹(), 凌昊²

^1.上海电力大学上海电力材料防护与先进材料重点实验室，环境与化学工程学院，上海 200090
^2.华东理工大学化工学院，上海 200237

收稿日期:2025-03-11 修回日期:2025-04-07 出版日期:2025-09-25 发布日期:2025-10-23
通讯作者: 潘慧
作者简介:赵婧（2000—），女，硕士研究生，y22202076@mail.shiep.edu.cn
董书辰（2002—），男，硕士研究生，shuchenD@mail.shiep.edu.cn
基金资助:
国家自然科学基金面上项目(22478239);上海市重点实验室项目(19DZ2271100)

Simulation and optimization of battery performance based on the electrochemical model

Jing ZHAO¹(), Shuchen DONG¹(), Gaoyang LI¹, Youke HUANG¹, Haosen SHI¹, Shuwen MIAO¹, Chenyan TAN¹, Tangqi ZHU¹, Yongshuai LI², Hui PAN¹(), Hao LING²

^1.Shanghai Key Laboratory of Materials Protection and Advanced Materials in Electric Power, College of Environmental and Chemical Engineering, Shanghai University of Electric Power, Shanghai 200090, China
^2.School of Chemical Engineering, East China University of Science and Technology, Shanghai 200237, China

Received:2025-03-11 Revised:2025-04-07 Online:2025-09-25 Published:2025-10-23
Contact: Hui PAN

摘要/Abstract

摘要：

锂离子电池产热对电池高能量和高功率密度下安全稳定运行至关重要。基于COMSOL Multiphysics平台，建立了锂离子电池的伪二维模型（pseudo-two-dimensional electrochemical model， P2D），探究了正负电极活性材料体积分数、正极厚度和隔膜电解质体积分数对电池产热的影响，并基于此，结合NSGA-Ⅱ多目标优化算法，系统分析上述关键结构参数对电池容量与产热的协同影响，从而为实现锂离子电池高容量和低产热的性能优化设计提供理论支持。

关键词: 锂离子电池, P2D模型, 结构参数, 算法, 优化设计, 模拟

Abstract:

Heat generation in lithium-ion batteries is crucial for the safe and stable operation of batteries at high energy and high power densities. This paper establishes a pseudo-two-dimensional electrochemical model (P2D) of lithium-ion batteries based on the COMSOL Multiphysics platform, and then investigates the effect of the volume fractions of active materials in the positive and negative electrodes, the thickness of the positive electrode, and the volume fractions of the separator electrolyte on battery heat generation, and combines this with the NSGA-Ⅱ multi-objective optimization algorithm, which is an evolutionary algorithm used to solve multi-objective optimization problems. It simulates the natural selection process to find a set of solutions called Pareto optimal solutions. Through this algorithm, the synergistic effects of the above key structural parameters on battery capacity and heat generation are analyzed systematically, thus providing theoretical support for the performance optimization design of lithium-ion batteries with high capacity and low heat generation.

Key words: lithium-ion battery, P2D model, structural parameters, algorithm, optimal design, simulation

中图分类号:

TQ 152

赵婧, 董书辰, 李高洋, 黄友科, 石浩森, 缪舒文, 谭辰妍, 朱唐琦, 李永帅, 潘慧, 凌昊. 基于电化学模型的电池性能模拟与优化[J]. 化工学报, 2025, 76(9): 4922-4932.

Jing ZHAO, Shuchen DONG, Gaoyang LI, Youke HUANG, Haosen SHI, Shuwen MIAO, Chenyan TAN, Tangqi ZHU, Yongshuai LI, Hui PAN, Hao LING. Simulation and optimization of battery performance based on the electrochemical model[J]. CIESC Journal, 2025, 76(9): 4922-4932.

图/表 10

参考文献 37

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电池参数	正极(阴极)	隔膜	负极(阳极)
最大主体容量	49000 mol/m³		31507 mol/m³
脱锂极限	0		0.025
固相体积分数	0.6	0.5	0.6
厚度	7×10^-5 m	3×10^-5 m	1.27×10^-4 m
颗粒半径	2×10^-6 m		2×10^-6 m
过剩主体容量	0		0.25
集流体厚度	5×10^-6 m		5×10^-6 m
扩散系数	1×10^-14 m²/s		1.4523×10^-13m²/s
电导率	100 S/m		3.8 S/m
最大荷电状态	0.975		0.98
最小荷电状态	0		0
反应速率常数	6.3×10^-10 m/s		6.3×10^-10 m/s
电荷转移系数(传递系数)	0.5		0.5
形成循环期间的初始锂库存损失	0.05
电池中的相对卷芯体积	0.95
循环期间的 SOC 上限	0.75
循环期间的 SOC 下限	0.25
最大工作电池电压	4.5 V
最小工作电池电压	2 V
环境温度	293.15 K
传热系数	10 W/(m²·K)
电池平均热容	1400 J/(kg·K)
电池平均密度	2000 kg/m³
心轴宽度	0.05 m
心轴深度	0.005 m
心轴长度	0.065 m

电池参数	正极(阴极)	隔膜	负极(阳极)
最大主体容量	49000 mol/m³		31507 mol/m³
脱锂极限	0		0.025
固相体积分数	0.6	0.5	0.6
厚度	7×10^-5 m	3×10^-5 m	1.27×10^-4 m
颗粒半径	2×10^-6 m		2×10^-6 m
过剩主体容量	0		0.25
集流体厚度	5×10^-6 m		5×10^-6 m
扩散系数	1×10^-14 m²/s		1.4523×10^-13m²/s
电导率	100 S/m		3.8 S/m
最大荷电状态	0.975		0.98
最小荷电状态	0		0
反应速率常数	6.3×10^-10 m/s		6.3×10^-10 m/s
电荷转移系数(传递系数)	0.5		0.5
形成循环期间的初始锂库存损失	0.05
电池中的相对卷芯体积	0.95
循环期间的 SOC 上限	0.75
循环期间的 SOC 下限	0.25
最大工作电池电压	4.5 V
最小工作电池电压	2 V
环境温度	293.15 K
传热系数	10 W/(m²·K)
电池平均热容	1400 J/(kg·K)
电池平均密度	2000 kg/m³
心轴宽度	0.05 m
心轴深度	0.005 m
心轴长度	0.065 m

材料	参数	X_ref	E_a/J
电解质(LiPF₆)	扩散系数	图1(a)	16500
	电解质电导率	图1(b)	-1000
	活性相关性	图1(c)	4000
负极(LixC₆)	扩散系数	1.4523×10^-13	68025.7

材料	参数	X_ref	E_a/J
电解质(LiPF₆)	扩散系数	图1(a)	16500
	电解质电导率	图1(b)	-1000
	活性相关性	图1(c)	4000
负极(LixC₆)	扩散系数	1.4523×10^-13	68025.7

设计参数	下限	上限
负极活性材料体积分数	0.6	0.8
正极活性材料体积分数	0.6	0.8
正极厚度/µm	60	100
隔膜电解质体积分数	0.6	0.8

基于电化学模型的电池性能模拟与优化

Simulation and optimization of battery performance based on the electrochemical model

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摘要/Abstract

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图/表 10

参考文献 37

相关文章 15

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区域	正极活性材料体积分数	负极活性材料体积分数	正极厚度/µm	隔膜电解质体积分数	容量/mAh	产热/Wh
区域1	0.6000	0.6000	60	0.8000	2.4958	0.1392
	0.6000	0.6216	60	0.7996	2.5971	0.1450
	0.6000	0.6000	60	0.8000	2.8405	0.1471
	0.6119	0.6057	60	0.8000	2.9344	0.1543
	0.6300	0.6305	62	0.7996	3.0652	0.1774
	0.6000	0.7044	60	0.7998	3.2333	0.1786
	0.6047	0.7088	64	0.7998	3.3739	0.2040
区域3	0.6002	0.7867	60	0.7998	3.6219	0.2200
区域3	0.6025	0.8000	64	0.7818	3.7212	0.2552
区域2	0.7503	0.8000	60	0.7934	3.8282	0.3753
	0.7474	0.8000	64	0.7933	3.8673	0.4140
	0.6000	0.7864	100	0.8000	3.9408	0.5148
	0.6000	0.7865	100	0.7996	3.9412	0.5149
	0.6967	0.8000	93	0.8000	4.0399	0.6415
	0.6993	0.8000	93	0.8000	4.0418	0.6479
	0.7161	0.8000	99	0.8000	4.0841	0.7717
	0.7394	0.8000	100	0.7931	4.1039	0.8771
	0.7567	0.8000	100	0.7996	4.1144	0.9657
	0.7740	0.8000	100	0.7996	4.1245	1.0758
	0.7828	0.8000	100	0.7998	4.1295	1.1397

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