Mesoscopic Model of Extrusion during Solvent‐Free Lithium‐ion Battery Electrode Manufacturing

• Published in: Batteries & supercaps Vol. 7; no. 2
• Main Authors: Paredes‐Goyes, Brayan, Zanotto, Franco M., Boudeville, Victor, Grugeon, Sylvie, Dupont, Loic, Franco, Alejandro A.
• Format: Journal Article
• Language: English
• Published: Wiley 01.02.2024
• Subjects: battery 3D printing; Chemical Sciences; Discrete Element Method; extrusion; lithium-ion battery; Material chemistry; solvent-free electrode manufacturing
• ISSN: 2566-6223; 2566-6223
• DOI: 10.1002/batt.202300441

Solvent‐free (SF) manufacturing of lithium‐ion battery (LIB) electrodes is safer and more environmentally friendly than the traditional slurry casting approach. However, as a young technique, SF manufacturing is under development of its pathways and operation conditions. In different SF processes reported in literature, extrusion is a common step. A detailed model of this process would be extremely computationally demanding. This work proposes a novel simplified discrete element model at the mesoscopic scale for the extrusion during SF manufacturing of LIB electrodes. In addition to active material particles, we consider fluid‐like solid particles to approximate the molten polymer and the carbon additive phases. The formulation and other process parameters are taken from our experimental facility that uses extrusion to fabricate filaments for 3D printing of LIB cells. The extrusion is carried out in a conical twin screw extruder. Our approach allows to obtain representative electrode microstructures after extrusion, where electrical conductivity, ionic effective diffusivity, tortuosity factor and porosity are calculated. The model is a proof of concept that is employed to investigate the influence of the extruder speed and the cohesion level on the resulting electrode properties. Microstructural simulation of extrusion during solvent‐free manufacturing: A Discrete Element Model is proposed for the simulation of extrusion, considering active material (AM) and binder and carbon aggregates (BC). The explicit consideration of these materials allows the obtention of representative electrode microstructures. Tortuosity factor, conductivity and porosity of the microstructures are calculated for different extrusion conditions.