Simulation study on the mechanism and process of thermal runaway induced by aging of lithium-ion batteries

doi:10.19799/j.cnki.2095-4239.2022.0396

Abstract

Abstract:

Recently, the thermal runaway combustion of new energy vehicles has been reported frequently, which not only endangers the safety of consumers' lives and property but also affects the public's trust and acceptance of electric vehicles, causing severe obstacles to the promotion and popularization of the new energy vehicle market. This study first established an electrochemical-aging-thermal runaway-thermal coupling model based on the heat and mass transfer of the battery to fundamentally provide effective guidance for the prevention and control of thermal runaway. Then, the finite element software was used to establish a simulation model for the ternary lithium soft-packed battery and conduct a preliminary verification. Finally, aiming at the thermal runaway problem of internal short circuits caused by battery aging characterized by cycle times, this paper establishes a simulation model to explore the influence of different aging degrees on the temperature rise of the battery and designs the dimensionless risk index β of "the speed of reaching the threshold temperature of the side reaction" and obtains the critical risk index of thermal runaway, which is helpful for the prediction and prevention of thermal runaway in daily use.

Key words: lithium-ion battery, thermal runaway, aging, risk index

CLC Number:

TM 911

Guiquan CHEN, Yingyin SHA, Weifeng ZHAO, Yelin DENG. Simulation study on the mechanism and process of thermal runaway induced by aging of lithium-ion batteries[J]. Energy Storage Science and Technology, 2022, 11(12): 3987-3998.

Figures/Tables 19

Fig. 1

Fig. 2

Fig. 3

Table 1

Basic parameters of the battery"

参数	数值
额定容量	20 Ah
尺寸	130 mm $×$ 40 mm $×$ 2.4 mm
充电限制电压	4.2 V
放电截止电压	2.8 V

Table 1

Table 2

Table 3

Table 4

Initial values of side reaction calculation parameters"

参数	初始值	来源
$c S E I$	0.150	文献[23]
$c n e g$	0.750	文献[23]
$z 0$	0.033	文献[23]
$α$	0.040	文献[23]
$c e l e$	1	文献[23]

Table 4

Table 5

Table 6

Table 7

Functions in COMSOL"

方程	函数
固相导电	$∂ ∂ x σ i e f f ∂ ∂ x ϕ s = j t o t$
固相传质	$∂ c s ∂ t = D s, i r 2 ∂ ∂ r r 2 ∂ c s ∂ r$
液相导电	$∂ ∂ x κ e f f ∂ ∂ x ϕ e = - ∂ ∂ x κ D e f f ∂ ∂ x l n c e - j t o t$
液相传质	$∂ ∂ t ε e, i c e = ∂ ∂ x D e, i e f f ∂ c e ∂ x + 1 - t + j t o t F$
电极-电解液界面反应	$j i n t = a s, i i 0, i e x p α a, i n t F R T η a c t, i n t - e x p α c, i n t F R T η a c t, i n t$

Table 7

Fig. 4

Fig. 5

Fig. 6

Fig. 7

Fig. 8

Table 8

Table 9

Table 10

Fig. 9

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参数	铝	正极	隔膜	负极	铜	来源
布鲁格曼曲折指数	—	2.98	2.15	2.5	—	文献[19]
电解质初始浓度/(mol/m³)	—	—	1200	—	—	文献[19]
最大负极容量/(mol/m³)	—	49000	—	31507	—	文献[19]
初始Li⁺浓度/(mol/m³)	—	4900	—	29932	—	COMSOL内置材料
电解质相体积分数	—	0.40	0.6	0.3	—	文献[19]
电极相体积分数	—	0.53	—	0.7	—	文献[19]
厚度/μm	8	85	20	11	8	文献[19]
粒子半径/μm	—	2.50	—	2.5	—	文献[19]
电导率/(S/m)	3.77×10⁷	—	100	—	6.4×10⁷	文献[19]
扩散系数/(m²/s)	—	5×10^-13	—	1.45×10^-13	—	文献[19]
密度/(kg/m³)	2700	2328.5	492.16	1347.33	8960	文献[19]
比热容c_p /[J/(kg·K)]	900	1269.21	1978.16	1437.4	385	文献[19]
导热系数/[W/(m·K)]	238	1.58	0.344	1.04	400	文献[19]

参数	SEI膜	负极-电解液	正极-电解液	电解液	来源
频率因子A/(1/s)	1.7×10¹⁵	2.5×10¹³	6.7×10¹³	5.14×10²⁵	文献[24]
活化能E_a/(J/mol)	1.4×10⁵	1.4×10⁵	1.4×10⁵	2.7×10⁵	文献[24]
放热量H/(J/kg)	2.57×10⁵	1.7×10⁶	3.15×10⁵	1.6×10⁵	文献[24]
材料密度W/(kg/m³)	6.1×10²	6.1×10²	9.25×10²	5×10²	文献[24]

反应类别	反应起始温度/℃	来源
SEI膜分解	80	文献[24]
负极-电解液反应	120	文献[24]
正极-电解液反应	200	文献[24]
电解液分解	250	文献[24]

参数	数值	来源
膜电导率/(S/m)	5×10^-6	文献[11]
摩尔质量/(kg/mol)	0.07388	文献[11]
密度/(kg/m³)	2110	文献[11]
参考膜厚/m	1×10^-9	文献[11]

循环次数	β
1000	1.12
1250	1.34
1500	1.57
1750	1.79
2000	1.92