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Title: Insight on electrolyte infiltration of lithium ion battery electrodes by means of a new three-dimensional-resolved lattice Boltzmann model

Journal Article · · Energy Storage Materials
 [1];  [1];  [1];  [1];  [2];  [2];  [2]; ORCiD logo [3];  [4]
  1. Univ. de Picardie Jules Verne, Amiens (France). Lab. de Réactivité et Chimie des Solides (LRCS); Reseau sur le Stockage Electrochimique de l'Energie (RS2E), Amiens (France)
  2. Helmholtz-Zentrum Berlin (HZB), (Germany). German Research Centre for Materials and Energy, Inst. of Applied Materials
  3. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  4. Univ. de Picardie Jules Verne, Amiens (France). Lab. de Réactivité et Chimie des Solides (LRCS); Reseau sur le Stockage Electrochimique de l'Energie (RS2E), Amiens (France); ALISTORE-European Research Inst., Amiens (France); Inst. Univ. de France, Paris (France)
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Electrolyte filling takes place between sealing and formation in Lithium Ion Battery (LIB) manufacturing process. This step is crucial as it is directly linked to LIB quality and affects the subsequent time consuming electrolyte wetting process. Although having fast, homogeneous and complete wetting is of paramount importance, this process has not been sufficiently examined and fully understood. For instance, experimentally available data is insufficient to fully capture the complex interplay upon filling between electrolyte and air inside the porous electrode. We report here for the first time a 3D-resolved Lattice Boltzmann Method (LBM) model able to simulate electrolyte filling upon applied pressure of LIB porous electrodes obtained both from experiments (micro X-ray tomography) and computations (stochastic generation, simulation of the manufacturing process using Coarse Grained Molecular Dynamics and Discrete Element Method). The model allows obtaining advanced insights about the impact of the electrode mesostructures on the speed of electrolyte impregnation and wetting, highlighting the importance of porosity, pore size distribution and pores interconnectivity on the filling dynamics. Furthermore, we identify scenarios where volumes with trapped air (dead zones) appear and evaluate the impact of those on the electrochemical behavior of the electrodes.

Research Organization:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Organization:
USDOE Office of Energy Efficiency and Renewable Energy (EERE); European Research Council (ERC)
Grant/Contract Number:
AC05-00OR22725; 772873
OSTI ID:
1779123
Journal Information:
Energy Storage Materials, Vol. 38; ISSN 2405-8297
Publisher:
ElsevierCopyright Statement
Country of Publication:
United States
Language:
English

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25 ENERGY STORAGE
Li-ion batteries
manufacturing process
electrolyte filling
lattice Boltzmann modeling
fluid dynamics