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High-Fidelity Electrochemical Modeling for Li-ion Batteries

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The traditionally accepted pseudo-two-dimensional (P2D) model is based on the assumption that electrodes can be idealized as spherical-shape particles. Moreover, simplifications are made to derive the effective coefficients for ionic diffusion and conductivity based on not validated empirical laws. These assumptions can make the model ineffective – with lack of predictability leading to underutilization (or overutilization) of the battery system. The full homogenized macroscopic (FHM) model can be regarded as a good candidate to overcome the limitations of current P2D models, describing lithium-ion batteries in a one-dimensional setting. The FHM model is formulated under the assumption that the electrodes are composed of spatially unit cells, causing micro-scale continuity in the cell system. In addition, the FHM model’s effective ionic properties are determined by resolving the closure problem in the unit cell of the electrode microstructure. Compared to the DFN model, the FHM model provides more accurate predictions over the low state of charge and medium-high temperature, as well as high C-rate.

Our lab focuses on providing system engineers, battery designers and material scientists with an optimal computational battery framework to simulate electrochemical energy storage system dynamics to maximize safety and usability for renewable energy applications and sustainable mobility.

Relevant Publications

  • Arunachalam, H., Onori, S., "Full Homogenized Macroscale Model and Pseudo-2-Dimensional Model for Lithium-Ion Battery Dynamics: Comparative Analysis, Experimental Verification and Sensitivity Analysis", Journal of The Electrochemical Society, Vol. 6, Issue: 8 pp. 1380-1392, 2019
  • Arunachalam, H., Onori, S., "What if the Doyle-Fuller-Newman model fails? A new macroscale modeling framework", 57th IEEE Conference on Decision and Control, Miami, FL, Dec. 17-19, 2018
  • Arunachalam, H., Korneev, S., Battiato, I., Onori. S.,“  Multiscale modeling approach to determine effective lithium-ion transport properties”, 2017 American Control Conference, Seattle, WA, May 24-26, 2017
  • Arunachalam, H., Battiato, I., Onori, S., "Preliminary Investigation of provability of Li-ion Macroscale Models subject to Capacity Fade", ASME Dynamic Systems and Control Conference, Minneapolis, MN, Oct. 12-14, 2016
  • Arunachalam, H., Onori, S., Battiato, I., “Temperature-dependent multiscale-dynamics in Lithium-Ion battery electrochemical models”,  2015 American Control Conference, Chicago, Illinois, July 1–3 2015
  • Arunachalam, H., Onori, S., Battiato, I., "On Veracity of Macroscopic Lithium-Ion Battery Models", J. Electrochem. Soc., 162 (10), A1940-A1951 (2015)