Investigating electrode calendering and its impact on electrochemical performance by means of a new discrete element method model: Towards a digital twin of Li-Ion battery manufacturing

Ngandjong Alain C.; Lombardo Teo; Primo Emiliano N.; Chouchane Mehdi; Shodiev Abbos; Arcelus Oier; Franco Alejandro A.

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Investigating electrode calendering and its impact on electrochemical performance by means of a new discrete element method model: Towards a digital twin of Li-Ion battery manufacturing

机译：通过新的分立元件模型研究电极压延及其对电化学性能的影响：朝向锂离子电池制造数字双单

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Lithium-ion battery (LIB) manufacturing optimization is crucial to reduce its CO2 fingerprint and cost, while improving their electrochemical performance. In this article, we present an experimentally validated calendering Discrete Element Method model for LiNi0.33Mn0.33Co0.33O2-based cathodes by considering explicitly both active material (AM) and carbon-binder domain (CBD). This model was coupled to a pre-existing Coarse-Grained Molecular Dynamics model describing the slurry equilibration and its drying and a 4D-resolved Finite Element Method model for predicting electrochemical performance. Our calendering model introduces important novelties versus the state of the art, such as the utilization of un-calendered electrode mesostructures resulting from validated simulations of the slurry and drying combined with the explicit consideration of the spatial distribution and interactions between AM and CBD particles, and its validation with both experimental micro-indentation and porosity vs. calendering pressure curves. The effect of calendering on the electrode mesostructure is analyzed in terms of pore size distribution, tortuosity factor and particles arrangement. In addition, the evolution of the macroscopic electrochemical behavior of the electrodes upon the degree of calendering is discussed, offering added insights into the links between the calendering pressure, the electrode mesostructure and its overall performance.

机译：锂离子电池（LIB）制造优化对于降低其CO2指纹和成本至关重要，同时提高其电化学性能。在本文中，我们通过考虑明确的活性物质（AM）和碳粘合剂结构域（CBD）来提出一种用于LINI0.33MN0.33CO0.33O2基阴极的实验验证的压延分立元件方法模型。该模型耦合到预先存在的粗粒分子动力学模型，其描述浆料平衡及其干燥以及用于预测电化学性能的4D分辨的有限元方法模型。我们的压延模型引入了重要的新奇观与现有技术，例如利用由浆料和干燥的验证模拟产生的未压延电极介质，与AM和CBD颗粒之间的空间分布和相互作用进行显式考虑，以及它用实验微压痕和孔隙度与压延压力曲线验证。在孔径分布，曲折因子和粒子布置方面，分析了压延对电极腹腔结构的影响。此外，讨论了电极在压延程度上的宏观电化学行为的演化，在压延压力，电极介质和整体性能之间提供了进入链路的附加洞察。

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来源
《Journal of power sources》 |2021年第15期|229320.1-229320.13|共13页
作者
Ngandjong Alain C.; Lombardo Teo; Primo Emiliano N.; Chouchane Mehdi; Shodiev Abbos; Arcelus Oier; Franco Alejandro A.;
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作者单位

Univ Picardie Jules Verne UMR CNRS 7314 Lab Reactivite & Chim Solides LRCS Hub Energie 15 Rue Baudelocque F-80039 Amiens France|Reseau Stockage Electrochim Energie RS2E FR CNRS 3459 Hub Energie 15 Rue Baudelocque F-80039 Amiens France;

Univ Picardie Jules Verne UMR CNRS 7314 Lab Reactivite & Chim Solides LRCS Hub Energie 15 Rue Baudelocque F-80039 Amiens France|Reseau Stockage Electrochim Energie RS2E FR CNRS 3459 Hub Energie 15 Rue Baudelocque F-80039 Amiens France;

Univ Picardie Jules Verne UMR CNRS 7314 Lab Reactivite & Chim Solides LRCS Hub Energie 15 Rue Baudelocque F-80039 Amiens France|Reseau Stockage Electrochim Energie RS2E FR CNRS 3459 Hub Energie 15 Rue Baudelocque F-80039 Amiens France;

Univ Picardie Jules Verne UMR CNRS 7314 Lab Reactivite & Chim Solides LRCS Hub Energie 15 Rue Baudelocque F-80039 Amiens France|Reseau Stockage Electrochim Energie RS2E FR CNRS 3459 Hub Energie 15 Rue Baudelocque F-80039 Amiens France;

Univ Picardie Jules Verne UMR CNRS 7314 Lab Reactivite & Chim Solides LRCS Hub Energie 15 Rue Baudelocque F-80039 Amiens France|Reseau Stockage Electrochim Energie RS2E FR CNRS 3459 Hub Energie 15 Rue Baudelocque F-80039 Amiens France;

Univ Picardie Jules Verne UMR CNRS 7314 Lab Reactivite & Chim Solides LRCS Hub Energie 15 Rue Baudelocque F-80039 Amiens France|Reseau Stockage Electrochim Energie RS2E FR CNRS 3459 Hub Energie 15 Rue Baudelocque F-80039 Amiens France;

Univ Picardie Jules Verne UMR CNRS 7314 Lab Reactivite & Chim Solides LRCS Hub Energie 15 Rue Baudelocque F-80039 Amiens France|Reseau Stockage Electrochim Energie RS2E FR CNRS 3459 Hub Energie 15 Rue Baudelocque F-80039 Amiens France|ALISTORE European Res Inst FR CNRS 3104 Hub Energie 15 Rue Baudelocque F-80039 Amiens France|Inst Univ France 103 Blvd St Michel F-75005 Paris France;

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收录信息美国《科学引文索引》(SCI);美国《工程索引》(EI);美国《生物学医学文摘》(MEDLINE);
原文格式 PDF
正文语种 eng
中图分类
关键词
Lithium-ion batteries; Manufacturing; Digital twin; Calendering; Dicrete element method; Electrode mesostructure;

机译：锂离子电池;制造;数码双胞胎;压延;Dicrete元素方法;电极介质;

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专利

1. On the impact of the slurry mixing procedure in the electrochemical performance of composite electrodes for Li-ion batteries: A case study for mesocarbon microbeads (MCMB) graphite and Co_3O_4 [J] . Alexandre Ponrouch, M. Rosa Palacin Journal of power sources . 2011,第22期

机译：浆料混合工艺对锂离子电池复合电极电化学性能的影响：以中碳微珠石墨和Co_3O_4为例
2. Cathode-Electrolyte-Interphase Film Formation on a LiNiO_2 Surface in Conventional Aqueous Electrolytes: Simple Method to Improve the Electrochemical Performance of LiNiO_2 Electrodes for Use in Aqueous Li-Ion Batteries [J] . Lee Changhee, Yokoyama Yuko, Kondo Yasuyuki, Advanced energy materials . 2021,第25期

机译：在常规水溶液中LINIO_2表面上的阴极电解质间膜：改善LINIO_2电极的电化学性能的简单方法，用于锂离子电池水溶液
3. Electrochemical-mechanical modeling of solid polymer electrolytes: Impact of mechanical stresses on Li-ion battery performance [J] . Grazioli Davide, Verners Osvalds, Zadin Vahur, Electrochimica Acta . 2019,第期

机译：固体聚合物电解质的电化学 - 机械建模：机械应力对锂离子电池性能的影响
4. Impact of the Calendering Process on the Interfacial Structure and the Related Electrochemical Performance of Secondary Lithium-Ion Batteries [C] . W. Haselrieder, S. Ivanov, D. K. Christen, Symposium on lithium-ion batteries and non-aqueous electrolytes for lithium batteries . 2013

机译：压延过程对次级锂离子电池界面结构及相关电化学性能的影响
5. Enhancing Electrochemical Performance of Electrode Materials for Li-Ion Batteries and Na-Ion Batteries via Thermodynamic Surface/Interface Control [D] . Huang, Jiajia 2017

机译：通过热力学表面/界面控制提高锂离子电池和钠离子电池用电极材料的电化学性能
6. Electrochemical Performance of Nitrogen-Doped TiO2 Nanotubes as Electrode Material for Supercapacitor and Li-Ion Battery [O] . Tamilselvan Appadurai, Chandrasekar M Subramaniyam, Rajesh Kuppusamy, 2019

机译：氮掺杂TiO2纳米管作为超级电容器和锂离子电池电极材料的电化学性能
7. Investigating electrode calendering and its impact on electrochemical performance by means of a new discrete element method model: Towards a digital twin of Li-Ion battery manufacturing [O] . Alain C. Ngandjong, Teo Lombardo, Emiliano N. Primo, 2021

机译：通过新的分立元件模型研究电极压延及其对电化学性能的影响：朝向锂离子电池制造数字双单

Investigating electrode calendering and its impact on electrochemical performance by means of a new discrete element method model: Towards a digital twin of Li-Ion battery manufacturing

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