Investigating the Effect of the Separation of Scales in Reduced Order Battery Modelling: Implications on the Validity of the Newman Model

Abstract

Modelling lithium-ion battery behavior is essential for performance prediction and design improvement. However, this task is challenging due to processes spanning many length scales, leading to computationally expensive models. Reduced order models have been developed to address this, assuming a “separation of scales” between micro- and macroscales. This study compares two approaches: direct microstructure-resolved 3D domain electrochemical modelling and a simplified 1D homogenized model, similar to the Doyle-Fuller-Newman model. The research investigates the validity of the scale separation assumption in continuum electrode-level models by varying scale separation factors, boundary conditions, and geometries. The findings reveal increases in deviation between the 3D models and 1D models for more tortuous, less porous microstructures, especially under higher discharge rates. However, under realistic conditions, with an electrode featuring eight particles across its thickness and typical transport properties, the 3D model predicts only a slight (2%) increase in current compared to the 1D model at a high rate of 7C (approximately j ≈ 350 Am−2). These results suggest that the separation of scales assumption in the DFN model is generally suitable for a wide range of operating conditions. However, 1D models may overlook local variations in electrolyte concentration and potential, crucial for understanding degradation mechanisms.