Parameter design of lithium-ion batteries based on a three-dimensional electrochemical thermal coupling lithium precipitation model

doi:10.19799/j.cnki.2095-4239.2022.0225

Abstract

Abstract:

Lithium deposition on the negative electrode of lithium-ion batteries may induce thermal runaway that can lead to safety accidents. The occurrence of lithium precipitation side reactions can be reduced effectively by optimizing the battery design parameters. Therefore, this study proposes a parameter design optimization method for lithium-ion batteries based on a three-dimensional electrochemical, thermal coupled lithium precipitation model. First, the model parameters were classified, and the corresponding parameters were obtained using experiments, exact measurements, literature searches, and parameter identification, respectively. The reversible lithium re-embedding mechanism and heat production model were added to establish a three-dimensional electrochemical, thermal coupling lithium precipitation model. After constructing the model, the accuracy of the model was verified. The verification results showed that the model could simulate the changes in the terminal voltage of the battery at room temperature and low temperature and could quantitatively describe the nonhomogeneous phenomena, such as the degree of lithium precipitation and temperature distribution inside the battery during low temperature large rate charging. Finally, the effects of the battery design parameters on nonhomogeneous lithium precipitation were investigated by analyzing the electrode size and lug position. The simulation results showed that increasing the electrode length would increase the temperature difference in the electrode area and the inconsistency of the current density. The combined effect would advance the lithium precipitation time of the battery slightly, but the effect on the overall degree of lithium precipitation of the battery was relatively small. When the position of the battery tab was on the opposite side of the axis in the longitudinal direction, it could effectively alleviate lithium deposition on the negative electrode, and the relative lithium precipitation degree was reduced by 16.7%.

Key words: lithium-ion battery, three-dimensional electrochemical thermal coupling, re-embedding mechanism, lithium precipitation model

CLC Number:

TM 912

Yong MA, Xiaohan LI, Lei SUN, Dongliang GUO, Jinggang YANG, Jianjun LIU, Peng XIAO, Guangjun QIAN. Parameter design of lithium-ion batteries based on a three-dimensional electrochemical thermal coupling lithium precipitation model[J]. Energy Storage Science and Technology, 2022, 11(8): 2600-2611.

Figures/Tables 21

Table 1

Electrochemical thermal coupling model parameters"

参数	参数意义	单位	负极	隔膜	正极
L	极片厚度	$μ m$	100^①	15^①	51^①
L_cc	集流体厚度	$μ m$	15.3^①	—	9^①
i_1C	1 C倍率下平均电流密度	A/m²	26.67^①
c_s,max	固相颗粒最大嵌锂浓度	mol/m³	25255^②	—	110995^②
x_0/100	负极初始时刻化学计量比	1	0.0073/0.9501^②
y_0/100	正极初始时刻化学计量比	1	0.9329/0.2904^②
A_total	活性物质总反应面积	m²	5.49^①
r_s	固相颗粒半径	$μ m$	12^③	—	10^③
κ_e	液相离子电导率	S/m	$κ e = 1 × 10 - 4 c - 10.5 + 0.074 T - 3.96 × 10 - 5 T 2 + 6.68 × 10 - 4 c - 1.78 × 10 - 5 T + 2.8 × 10 - 8 T 2 + 4.94 × 10 - 7 c 2 - 8.86 × 10 - 10 c 2 T 2$
σ_s	固相电导率	S/m	100^④	—	10^④
ε_e	液相体积分数	1	0.357^③	0.4^③	0.444^③
σ_s^eff	固相有效电导率	S/m	ε_s^1.5σ_s	—	ε_s^1.5σ_s
cl₀	电解质初始盐浓度	mol/m³	1000^③
E_a	活化能	J/mol	21350^⑤	—	20500^⑤
k_ref	参考温度下的反应速率常数	m/s	3e^-11④,⑤	—	4e^-11④,⑤
D_e	液相扩散系数	m²/s		$D e = 1 × 10 - 8.83 - 54 T - 5 × 10 - 3 c - 299 - 2.2 × 10 - 4 c$
D_s,ref	参考温度下的固相扩散系数	m²/s	3.9e^-14④,⑤	—	4.5e^-13④,⑤
T_ref	参考温度	K		298.15
α_a、α_c	传递系数	1	0.5	—	0.5
C_p	比热容	J/(kg·K)		1150^①
h	对流换热系数	W/(m²·K)		22^①
F	法拉第常数	C/mol		96485
R	理想气体常数	J/(mol·K)		8.314

Table 1

Fig. 1

Table 2

Table 3

Fig. 2

Fig. 3

Fig. 4

Fig. 5

Fig. 6

Fig. 7

Fig. 8

Fig. 9

Fig. 10

Fig. 11

Fig. 12

Fig. 13

Fig. 14

Fig. 15

Fig. 16

Fig. 17

Fig. 18

References 19

1	INUI Y, KOBAYASHI Y, WATANABE Y, et al. Simulation of temperature distribution in cylindrical and prismatic lithium ion secondary batteries[J]. Energy Conversion and Management, 2007, 48(7): 2103-2109.
2	GRANDJEAN T, BARAI A, HOSSEINZADEH E, et al. Large format lithium ion pouch cell full thermal characterisation for improved electric vehicle thermal management[J]. Journal of Power Sources, 2017, 359: 215-225.
3	SHARMA G, SOOD V K, ALAM M S, et al. Comparison of common DC and AC bus architectures for EV fast charging stations and impact on power quality[J]. eTransportation, 2020, 5: doi: 10.1016/j.etran.2020.100066.
4	HALES A, PROSSER R, BRAVO DIAZ L, et al. The cell cooling coefficient as a design tool to optimise thermal management of lithium-ion cells in battery packs[J]. eTransportation, 2020, 6: doi: 10.1016/j.etran.2020.100089.
5	FLECKENSTEIN M, BOHLEN O, ROSCHER M A, et al. Current density and state of charge inhomogeneities in Li-ion battery cells with LiFePO₄ as cathode material due to temperature gradients[J]. Journal of Power Sources, 2011, 196(10): 4769-4778.
6	GUO C L, ZHU K J, CHEN C C, et al. Characteristics and effect laws of the large-scale electric Vehicle's charging load[J]. eTransportation, 2020, 3: doi: 10.1016/j.etran.2020.100049.
7	孙占宇. 基于电化学模型的车用锂离子电池安全快速充电算法[J]. 汽车安全与节能学报, 2017, 8(1): 97-101.
	SUN Z Y. Safe fast charging algorithm of lithium ion battery based on an electrochemical model[J]. Journal of Automotive Safety and Energy, 2017, 8(1): 97-101.
8	DIXON J, BELL K. Electric vehicles: Battery capacity, charger power, access to charging and the impacts on distribution networks[J]. eTransportation, 2020, 4: doi: 10.1016/j.etran.2020.100059.
9	彭敏, 申文静, 罗兆东. 层叠式锂离子电池二维热模型研究[J]. 电源技术, 2018, 42(9): 1312-1315.
	PENG M, SHEN W J, LUO Z D. Two-dimensional thermal modeling for laminated lithium ion battery[J]. Chinese Journal of Power Sources, 2018, 42(9): 1312-1315.
10	STURM J, RHEINFELD A, ZILBERMAN I, et al. Modeling and simulation of inhomogeneities in a 18650 nickel-rich, silicon-graphite lithium-ion cell during fast charging[J]. Journal of Power Sources, 2019, 412: 204-223.
11	ZHAO W, LUO G, WANG C Y. Effect of tab design on large-format Li-ion cell performance[J]. Journal of Power Sources, 2014, 257: 70-79.
12	SAMBA A, OMAR N, GUALOUS H, et al. Impact of tab location on large format lithium-ion pouch cell based on fully coupled tree-dimensional electrochemical-thermal modeling[J]. Electrochimica Acta, 2014, 147: 319-329.
13	FEAR C, PARMANANDA M, KABRA V, et al. Mechanistic underpinnings of thermal gradient induced inhomogeneity in lithium plating[J]. Energy Storage Materials, 2021, 35: 500-511.
14	DOYLE M, FULLER T F, NEWMAN J. Modeling of galvanostatic charge and discharge of the lithium/polymer/insertion cell[J]. Journal of the Electrochemical Society, 1993, 140(6): 1526-1533.
15	DOYLE M, NEWMAN J, GOZDZ A S, et al. Comparison of modeling predictions with experimental data from plastic lithium ion cells[J]. Journal of the Electrochemical Society, 1996, 143(6): 1890-1903.
16	TANG S Q, WANG Z X, GUO H J, et al. Systematic parameter acquisition method for electrochemical model of 4.35 V LiCoO₂ batteries[J]. Solid State Ionics, 2019, 343: doi: 10.1016/j.ssi.2019.115083.
17	YE Y H, SHI Y X, CAI N S, et al. Electro-thermal modeling and experimental validation for lithium ion battery[J]. Journal of Power Sources, 2012, 199: 227-238.
18	李斌, 常国峰, 林春景, 等. 车用动力锂电池产热机理研究现状[J]. 电源技术, 2014, 38(2): 378-381.
	LI B, CHANG G F, LIN C J, et al. Research on heat generate mechanism of Li-ion batteries for electric vehicles[J]. Chinese Journal of Power Sources, 2014, 38(2): 378-381.
19	REN D S, SMITH K, GUO D X, et al. Investigation of lithium plating-stripping process in Li-ion batteries at low temperature using an electrochemical model[J]. Journal of the Electrochemical Society, 2018, 165(10): doi: 10.1149/2.0661810jes.

参数	单位	正极		隔膜	负极
参数	单位	NCM	集流体	隔膜	石墨	集流体
比热容C_p	J/(kg·K)	1100	900	1978	881	285
导热系数λ	W/(m·K)	1.58	238	0.344	1.04	400
密度ρ	kg/m³	2628	2700	1108	2270	8960
对流换热系h	W/(m²·K)	大面：1.1 极耳尾部：10

参数	物理意义	单位	负极
α_{a, pl}、α_c,_pl	析锂/锂溶解传递系数	1	0.3、0.7^[19]
k_pl/st	锂析出/溶解反应速率常数	m/s	6.5×10^-6
E_{a, pl/st}	析锂与锂溶解反应活化能	J/mol	50000
z₁、z₂、z₃	可逆锂/不可逆锂/SEI占比	1	0.57、0.375、0.05
σ_SEI	SEI膜电导率	S/m	5×10^-6[19]
δ_SEI	SEI膜t厚度	m	式(10)
ρ_SEI	SEI 膜密度	kg/m³	1690^[19]
ρ_Li	锂金属密度	kg/m³	534^[19]
M_SEI	SEI膜摩尔质量	kg/mol	0.162^[19]
M_Li	锂金属摩尔质量	kg/mol	6.94×10^-3[19]

[1]	Tao SUN, Tengteng SHEN, Xin LIU, Dongsheng REN, Jinhai LIU, Yuejiu ZHENG, Luyan WANG, Languang LU, Minggao OUYANG. Application of titration gas chromatography technology in the quantitative detection of lithium plating in Li-ion batteries [J]. Energy Storage Science and Technology, 2022, 11(8): 2564-2573.
[2]	Yang WANG, Xu LU, Yuxin ZHANG, Long LIU. Thermal runaway exhaust strategy of power battery [J]. Energy Storage Science and Technology, 2022, 11(8): 2480-2487.
[3]	Qingsong ZHANG, Yang ZHAO, Tiantian LIU. Effects of state of charge and battery layout on thermal runaway propagation in lithium-ion batteries [J]. Energy Storage Science and Technology, 2022, 11(8): 2519-2525.
[4]	Liang TANG, Xiaobo YIN, Houfu WU, Pengjie LIU, Qingsong WANG. Demand for safety standards in the development of the electrochemical energy storage industry [J]. Energy Storage Science and Technology, 2022, 11(8): 2645-2652.
[5]	Liping HUO, Weiling LUAN, Zixian ZHUANG. Development trend of lithium-ion battery safety technology for energy storage [J]. Energy Storage Science and Technology, 2022, 11(8): 2671-2680.
[6]	Zhicheng CAO, Kaiyun ZHOU, Jiali ZHU, Gaoming LIU, Min YAN, Shun TANG, Yuancheng CAO, Shijie CHENG, Weixin ZHANG. Patent analysis of fire-protection technology of lithium-ion energy storage system [J]. Energy Storage Science and Technology, 2022, 11(8): 2664-2670.
[7]	Yue ZHANG, Depeng KONG, Ping PING. Performance and design optimization of a cold plate for inhibiting thermal runaway propagation of lithium-ion battery packs [J]. Energy Storage Science and Technology, 2022, 11(8): 2432-2441.
[8]	Chengshan XU, Borui LU, Mengqi ZHANG, Huaibin WANG, Changyong JIN, Minggao OUYANG, Xuning FENG. Study on thermal runaway gas evolution in the lithium-ion battery energy storage cabin [J]. Energy Storage Science and Technology, 2022, 11(8): 2418-2431.
[9]	Wei KONG, Jingtao JIN, Xipo LU, Yang SUN. Study on cooling performance of lithium ion batteries with symmetrical serpentine channel [J]. Energy Storage Science and Technology, 2022, 11(7): 2258-2265.
[10]	Shunmin YI, Linbo XIE, Li PENG. Remaining useful life prediction of lithium-ion batteries based on VF-DW-DFN [J]. Energy Storage Science and Technology, 2022, 11(7): 2305-2315.
[11]	Qingwei ZHU, Xiaoli YU, Qichao WU, Yidan XU, Fenfang CHEN, Rui HUANG. Semi-empirical degradation model of lithium-ion battery with high energy density [J]. Energy Storage Science and Technology, 2022, 11(7): 2324-2331.
[12]	Yuzuo WANG, Jin WANG, Yinli LU, Dianbo RUAN. Study on the effects of pore structure on lithium-storage performances for soft carbon [J]. Energy Storage Science and Technology, 2022, 11(7): 2023-2029.
[13]	WANG Yuzuo, DENG Miao, WANG Jin, YANG Bin, LU Yinli, JIN Ge, RUAN Dianbo. Study on the effects of carbonization temperature on lithium-storage kinetics for soft carbon [J]. Energy Storage Science and Technology, 2022, 11(6): 1715-1724.
[14]	YU Chunhui, HE Ziying, ZHANG Chenxi, LIN Xianqing, XIAO Zhexi, WEI Fei. The analyses and suppressing strategies of silicon anode with the electrolyte [J]. Energy Storage Science and Technology, 2022, 11(6): 1749-1759.
[15]	YAN Qiaoyi, WU Feng, CHEN Renjie, LI Li. Recovery and resource recycling of graphite anode materials for spent lithium-ion batteries [J]. Energy Storage Science and Technology, 2022, 11(6): 1760-1771.