电化学(中英文) ›› 2021, Vol. 27 ›› Issue (6): 646-657. doi: 10.13208/j.electrochem.210210
收稿日期:
2021-02-10
修回日期:
2021-04-07
出版日期:
2021-12-28
发布日期:
2021-04-14
通讯作者:
孙升
E-mail:mgissh@t.shu.edu.cn
基金资助:
Received:
2021-02-10
Revised:
2021-04-07
Published:
2021-12-28
Online:
2021-04-14
Contact:
Sheng Sun
E-mail:mgissh@t.shu.edu.cn
摘要:
锂离子电池的全电池建模模拟对现代新能源领域的发展至关重要。伪二维(P2D)电化学模型是最常使用的全电池模拟模型,但一直被用于输入为电流,输出为电压的模拟中。本文基于P2D模型,通过对内电位、电极电位以及电池端电压的详细讨论,首次采用电压边界条件,利用COMSOL仿真软件完成了实验中常用的两电极体系和三电极体系的循环伏安法建模和模拟。并对比分析了两/三电极体系中扫描速率、颗粒半径、电极锂扩散速率以及最大嵌锂浓度这四个参数对循环伏安曲线形状的影响。结果表明,循环伏安测试时扫描速率越大,循环伏安曲线的峰值电流越大;固相锂扩散速率越大、电活性颗粒半径越小、最大嵌锂浓度越大,峰值电流越大。在相同的测试条件下,三电极体系比两电极体系的循环伏安图对称性更好,电流响应更大,并且颗粒半径、锂扩散速率及最大嵌锂浓度这三个参数对峰值电流的影响也更为明显。
蔡雪凡, 孙升. 多孔电极电池的循环伏安法模拟[J]. 电化学(中英文), 2021, 27(6): 646-657.
Xue-Fan Cai, Sheng Sun. Cyclic Voltammetric Simulations on Batteries with Porous Electrodes[J]. Journal of Electrochemistry, 2021, 27(6): 646-657.
表1
锂离子全电池模型参数
Parameter | Negative electrode | Separator | Positive electrode | Unit | |
---|---|---|---|---|---|
Geometry and volume fraction | Thickness | 1.83×10-4 | 5.2×10-5 | 1.83×10-4 | m |
Particle radius | 12.5 | 10; 40; 70 | μm | ||
Active material volume fraction | 0.471 | 0.297 | |||
Electrolyte phase volume fraction | 0.503 | 1 | 0.63 | ||
Conductive filler volume fraction | 0.026 | 0.073 | |||
Concentration | Initial solid phase concentration | 20450 | 0 | mol·m-3 | |
Maximum solid phase concentration | 31507 | 18860; 22860; 26860 | mol·m-3 | ||
Initial electrolyte salt concentration | 2000 | 2000 | 2000 | mol·m-3 | |
Kinetic and transport properties | Solid phase Li+ diffusion coefficient | 3.9×10-10 | 1×10-9; 1×10-10; 1×10-11 | cm2·s-1 | |
Electrolyte phase Li+ diffusion coefficient | 7.5×10-7 | cm2·s-1 | |||
Solid phase conductivity | 100 | 3.8 | S·m-1 | ||
Electrolyte phase conductivity | f(Cl/Clref) | S·m-1 | |||
Electrode open-circuit voltage | f(Cs/Csmax) | 0 | V | ||
Charge-transfer coefficient | 0.5,0.5 | 0.5,0.5 | |||
Li+ transference number | 0.363 | ||||
Film resistance of the SEI | 10 | 0 | Ω·cm2 | ||
Faraday constant | 96500 | C·mol-1 | |||
Ideal gas constant | 8.31 | J·mol-1·K-1 | |||
temperature | 298 | K |
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