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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

Abstract

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.

Authors:
 [1];  [1];  [1];  [1];  [2];  [2];  [2]; ORCiD logo [3];  [4]
+ Show Author Affiliations
  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)
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Energy Efficiency and Renewable Energy (EERE); European Research Council (ERC)
OSTI Identifier:
1779123
Grant/Contract Number:  
AC05-00OR22725; 772873
Resource Type:
Accepted Manuscript
Journal Name:
Energy Storage Materials
Additional Journal Information:
Journal Volume: 38; Journal ID: ISSN 2405-8297
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
25 ENERGY STORAGE; Li-ion batteries; manufacturing process; electrolyte filling; lattice Boltzmann modeling; fluid dynamics

Citation Formats

Shodiev, Abbos, Primo, Emiliano, Arcelus, Oier, Chouchane, Mehdi, Osenberg, Markus, Hilger, André, Manke, Ingo, Li, Jianlin, and Franco, Alejandro A. Insight on electrolyte infiltration of lithium ion battery electrodes by means of a new three-dimensional-resolved lattice Boltzmann model. United States: N. p., 2021. Web. doi:10.1016/j.ensm.2021.02.029.
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Shodiev, Abbos, Primo, Emiliano, Arcelus, Oier, Chouchane, Mehdi, Osenberg, Markus, Hilger, André, Manke, Ingo, Li, Jianlin, & Franco, Alejandro A. Insight on electrolyte infiltration of lithium ion battery electrodes by means of a new three-dimensional-resolved lattice Boltzmann model. United States. https://doi.org/10.1016/j.ensm.2021.02.029
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Shodiev, Abbos, Primo, Emiliano, Arcelus, Oier, Chouchane, Mehdi, Osenberg, Markus, Hilger, André, Manke, Ingo, Li, Jianlin, and Franco, Alejandro A. Wed . "Insight on electrolyte infiltration of lithium ion battery electrodes by means of a new three-dimensional-resolved lattice Boltzmann model". United States. https://doi.org/10.1016/j.ensm.2021.02.029. https://www.osti.gov/servlets/purl/1779123.
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@article{osti_1779123,
title = {Insight on electrolyte infiltration of lithium ion battery electrodes by means of a new three-dimensional-resolved lattice Boltzmann model},
author = {Shodiev, Abbos and Primo, Emiliano and Arcelus, Oier and Chouchane, Mehdi and Osenberg, Markus and Hilger, André and Manke, Ingo and Li, Jianlin and Franco, Alejandro A.},
abstractNote = {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.},
doi = {10.1016/j.ensm.2021.02.029},
journal = {Energy Storage Materials},
number = ,
volume = 38,
place = {United States},
year = {Wed Feb 24 00:00:00 EST 2021},
month = {Wed Feb 24 00:00:00 EST 2021}
}
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https://doi.org/10.1016/j.ensm.2021.02.029
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