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Simulated annealing reconstruction of LiCoO2 cathode microstructure and prediction of its effective transport properties
Wu Wei1,2; Jiang Fang-Ming1; Zeng Jian-Bang1
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
DOI10.7498/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
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
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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).
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