Simulated annealing reconstruction of LiCoO2 cathode microstructure and prediction of its effective transport properties

doi:10.7498/aps.63.048202

GIEC OpenIR > 中国科学院广州能源研究所

	Simulated annealing reconstruction of LiCoO2 cathode microstructure and prediction of its effective transport properties
	Wu Wei 1,2; Jiang Fang-Ming 1; Zeng Jian-Bang 1
	2014-02-01
发表期刊	ACTA PHYSICA SINICA
卷号	63 期号:4
摘要	Reconstruction and characterization of the porous composite electrode via experimental and numerical approaches is one of the most important ingredients of mesoscopic modeling. It is also the basis and prerequisite for bottom-to-up design and optimization of electrode microstructure. In the present work, a simulated annealing approach is employed to reconstruct the LiCoO2 cathode of a commercial Li-ion battery. Important statistical characteristic parameters of the real LiCoO2 cathode, such as porosity or component volume fraction, the real size distribution curve of LiCoO2 particles, which are taken from experimental data or extracted from the source materials used to fabricate the cathode, are used to regulate the reconstruction process. The reconstructed electrode evidently distinguishes the three individual phases: LiCoO2 as active material, pores or electrolyte, and additives. An extensive characterization is subsequently performed, which calculates some important structural and transport properties, including the geometrical connectivity of an individual phase, the specific surface area, etc. Particularly, a self-developed D3Q15 LB (lattice Boltzmann) model is utilized to calculate the effective thermal (or electric) conductivity and the effective species diffusivity in electrolyte (or solid) phase, and the tortuosity of an individual phase. The LB model predictions indicate that the effective transport coefficients are closely related to the micro-morphology in electrodes and the tortuosity values assessed by LBM are more reliable than those predicted by random walk simulation or the Bruggeman equation.
文章类型	Article
关键词	Effective Physical Parameters Mesoscopic Modeling To Lithium-ion Battery Simulated Annealing Approach Lattice Boltzmann Method
WOS标题词	Science & Technology ; Physical Sciences
DOI	10.7498/aps.63.048202
研究领域[WOS]	Physics
关键词[WOS]	EFFECTIVE THERMAL-CONDUCTIVITY ; POROUS-MEDIA ; BOUNDARY-CONDITIONS ; BATTERY ELECTRODES ; ALGORITHM ; CELLS ; MODEL
收录类别	SCI
语种	英语
WOS类目	Physics, Multidisciplinary
WOS记录号	WOS:000332771000049
引用统计	被引频次：5[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.giec.ac.cn/handle/344007/10639
专题	中国科学院广州能源研究所
作者单位	1.Chinese Acad Sci, Key Lab Renewable Energy Chinese Acad Sci, Lab Adv Energy Syst, Guangzhou Inst Energy Convers, Guangzhou 510640, Peoples R China 2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
推荐引用方式 GB/T 7714	Wu Wei,Jiang Fang-Ming,Zeng Jian-Bang. Simulated annealing reconstruction of LiCoO2 cathode microstructure and prediction of its effective transport properties[J]. ACTA PHYSICA SINICA,2014,63(4).
APA	Wu Wei,Jiang Fang-Ming,&Zeng Jian-Bang.(2014).Simulated annealing reconstruction of LiCoO2 cathode microstructure and prediction of its effective transport properties.ACTA PHYSICA SINICA,63(4).
MLA	Wu Wei,et al."Simulated annealing reconstruction of LiCoO2 cathode microstructure and prediction of its effective transport properties".ACTA PHYSICA SINICA 63.4(2014).