Microstructural Limits and Extensions of Porous Electrode Theory

Thursday, 5 October 2017: 14:20
Maryland D (Gaylord National Resort and Convention Center)
J. A. Campos (School of Materials Engineering, Purdue University), I. Battiato (Stanford University), and R. E. García (Purdue University)
Newman-type models, are the most widely used implementation of porous electrode theory to simulate Li-Ion batteries by both industry and academia [1]. These models show great robustness, fidelity, and for most applications they require to fit ~80 material parameters to match the measured experimental data. While it is always possible to match the experimental results with these models, a methodology to quantify their veracity and identify the regions of validity remains unavailable. In general, it is necessary to identify the conditions under which the micro and macroscopic scales are decoupled, and conditions where the assumptions associated to using average microstructural properties remain enforced. In this paper, the effect of the microstructure in the modeling and validity of Newman-type models is described by extending the analytical method proposed by Battiato and coworkers [2], based on the formal application of upscaling techniques, with the use of microstructurally averaged properties, e.g., [3]. Comparisons against microstructurally resolved models are made.

[1] J. Newman and W. Tiedemann. “Porous-electrode theory with battery applications." AIChE J., 21, 25-41, 1975.

[2] Harikesh Arunachalam, Simona Onori, and Ilenia Battiato. “On Veracity of Macroscopic Lithium-Ion Battery Models" J. Electrochem Soc, 162 (10), A1940-A1951, 2015.

[3] R. García-García, and R.E. García. “Microstructural Effects on the Average Properties in Porous Battery Electrodes" Journal of Power Sources 309, 11-16, 2016.