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Reconstruction of LiCoO2 Cathode Microstructure and Prediction of Effective Transport Coefficients
Wu Wei1,2; Jiang Fang-Ming1; Zeng Jian-Bang1
2013-11-01
发表期刊ACTA PHYSICO-CHIMICA SINICA
卷号29期号:11页码:2361-2370
摘要Understanding the impact of microstructure of lithium-ion battery electrodes on performance is important for the development of relevant technologies. In the present work, the Monte Carlo Ising model was extended for the reconstruction of three-dimensional (3D) microstructure of a LiCoO2 lithium-ion battery cathode. The electrode is reconstructed with a resolution on the scale of 50 nanometers, which allows three individual phases to be evidently distinguished: LiCoO2 particles as the active material, pores or electrolyte and additives (polyvinylidene fluoride (PVDF) + carbon black). Characterization of the reconstructed cathode reveals some important structural and transport properties, including the geometrical connectivity and tortuosity of specific phases, the spatial distribution and volume fractions of specific phases, the specific surface area, and the pore size distribution. A D3Q15 lattice Boltzmann model (LBM) was developed and used to calculate the effective thermal conductivity and the effective transport coefficient of the electrolyte (or solid) phase. It is found that tortuosity values determined by LBM are more reliable than those predicted by the random walk simulation or the Bruggeman equation.
文章类型Article
关键词Pore-scale Modeling To Lithium-ion Battery Microstructure Reconstruction Monte Carlo Approach Characterization Tortuosity Effective Transport Coefficient Lattice Boltzmann Method Random Walk Method
WOS标题词Science & Technology ; Physical Sciences
DOI10.3866/PKU.WHXB201309032
研究领域[WOS]Chemistry
关键词[WOS]EFFECTIVE THERMAL-CONDUCTIVITY ; POROUS-MEDIA ; BOUNDARY-CONDITIONS ; BATTERY ELECTRODES ; 3D RECONSTRUCTION ; INSERTION CELL ; ION ; PERFORMANCE ; SIMULATION ; ALGORITHM
收录类别SCI
语种英语
WOS类目Chemistry, Physical
WOS记录号WOS:000327290800010
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/344007/10045
专题中国科学院广州能源研究所
作者单位1.Chinese Acad Sci, Guangzhou Inst Energy Convers, Lab Adv Energy Syst, CAS Key Lab Renewable Energy, Guangzhou 510640, Guangdong, 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. Reconstruction of LiCoO2 Cathode Microstructure and Prediction of Effective Transport Coefficients[J]. ACTA PHYSICO-CHIMICA SINICA,2013,29(11):2361-2370.
APA Wu Wei,Jiang Fang-Ming,&Zeng Jian-Bang.(2013).Reconstruction of LiCoO2 Cathode Microstructure and Prediction of Effective Transport Coefficients.ACTA PHYSICO-CHIMICA SINICA,29(11),2361-2370.
MLA Wu Wei,et al."Reconstruction of LiCoO2 Cathode Microstructure and Prediction of Effective Transport Coefficients".ACTA PHYSICO-CHIMICA SINICA 29.11(2013):2361-2370.
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