锂离子电池介观尺度光滑粒子水力学模型.pdf
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物理化学学报( Wuli Huaxue Xuebao
November
Acta Phys.-Chim.Sin.2013,29(11),2371-2384
2371
Article
doi:10.3866PKU.WHXB201309131
www.whxb.pku.edu.cn
锂离子电池介观尺度光滑粒子水力学模型
曾建邦蒋方明
(中国科学院广州能源硏究所先进能源系统实验室,中国科学院可再生能源重点实验室,广州510640)
摘要:针对锂离子电池内耦合电化学反应的多物理传输过程,采用光滑粒子水力学数值技术,开发了可以考
虑电极(包括隔膜)介观微结构的数值模型.以电极中固体活性物颗粒尺寸为主要考虑参数,初步探讨了该模型
用于电极介观微结构设计的可行性.模型模拟得到放电过程中电池内部LL浓度场、固/液相电势场以及交换
流密度等微观细节分布,以及电池宏观性能如输出电压等,据此可以分析并揭示电池放电过程的基础物理化学
机制、电池宏观性能与构成电极的固体活性物颗粒尺寸之间的关联.研究还发现:当阴、阳极固体活性物颗粒尺
寸均较小时,固体活性物颗粒内部凵分布更为均匀,电化学反应更均匀发生,电池输出电压最高.
关鍵词:光滑粒子水力学;锂离子电池;介观尺度;多物理传输过程;固体活性物颗粒尺寸
中图分类号:O646
A Mesoscale Smoothed Particle Hydrodynamics
Model for Lithium-lon Batteries
ZENG Jian-bang JIANG Fang-ming
(Laboratory of Advanced Energy System CAS Key Laboratory of Renewable Emerg%, Guangzhou Institute of
Energy Conversion, Chinese Academy ofsciences, Guangzhou 510640, P R China
Abstract: We develop a model for the multi-disciplinary transport coupled electrochemical reaction
processes in lithium-ion batteries via a smoothed particle hydrodynamics numerical approach. This model
is based on a mesoscopic treatment to the micropore structures of electrodes. Focusing on the effects of
solid active particle size, this work explores the feasibility of using this model for electrode microstructure
design. The model results provide detailed distributive information of all the primary and participating
parameters, including Li concentration in the electrolyte, Li concentration in solid active particles, solid
electrolyte phase potential, and transfer current density. Furthermore, macroscopic parameters such as the
output voltage are also determined. Based on the simulation results, the underlying physicochemical
fundamentals are analyzed and the relationships between the macroscopic performance of the battery and
the size of solid active particles are revealed. The battery having the smallest solid active particles in both
electrodes features a more uniform Li distribution inside the particles and a more uniform distribution of
electrochemical reactions on the surface of each particle, leading to a higher output voltage
Key Wors: mooted particle hydrodynamics ithium-ion battery; Mesoscale
Multi-disciplinary transport process; Solid active particle size
Received July 31, 2013; Revised: September 12, 2013; Published on Web: September 13, 2013
Corresponding author. Email: jiangfm@ms giec accn; Tel: +86-20-87057656
The project was supported by the National Natural Science Foundation of China(51206171) Director Innovation Foundation of Guangzhou Institute
of Energy Conversion, Chinese Academy of Sciences(y207r31001), and the Chinese Academy of Sciences"100 Talents"Plan
国家自然科学基金(51206171),中国科学院广州能源研究所所长创新基金(y207r31001)和中国科学院百人计划资助项目
G Editorial office of Acta Physico-chimica Sinica
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