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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
Source PublicationACTA PHYSICO-CHIMICA SINICA
Volume29Issue:11Pages:2361-2370
AbstractUnderstanding 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.
SubtypeArticle
KeywordPore-scale Modeling To Lithium-ion Battery Microstructure Reconstruction Monte Carlo Approach Characterization Tortuosity Effective Transport Coefficient Lattice Boltzmann Method Random Walk Method
WOS HeadingsScience & Technology ; Physical Sciences
DOI10.3866/PKU.WHXB201309032
WOS Subject ExtendedChemistry
WOS KeywordEFFECTIVE THERMAL-CONDUCTIVITY ; POROUS-MEDIA ; BOUNDARY-CONDITIONS ; BATTERY ELECTRODES ; 3D RECONSTRUCTION ; INSERTION CELL ; ION ; PERFORMANCE ; SIMULATION ; ALGORITHM
Indexed BySCI
Language英语
WOS SubjectChemistry, Physical
WOS IDWOS:000327290800010
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Document Type期刊论文
Identifierhttp://ir.giec.ac.cn/handle/344007/10045
Collection中国科学院广州能源研究所
Affiliation1.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
First Author AffilicationGuangZhou Institute of Energy Conversion,Chinese Academy of Sciences
Recommended Citation
GB/T 7714
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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