A Porous Electrode Model for Coal-Derived Graphite

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As the automotive industry shifts towards electrified vehicles, there is a similar shift in the source of raw materials needed to sustain this new technology. One promising approach to meet the unique materials demand is to produce graphite from domestic coal feedstocks. 1–3 Towards this goal, in this work, we assessed the technical viability of using coal-derived graphite for the anode material in batteries for electric vehicles (EVs). We developed porous electrode models at the beginning-of-life (BOL) and after cell cycling to predict the performance of small format pouch cells with two different anodes – a White Forest coal-derived graphite and a MesoCarbon MicroBead commercial graphite. Results are compared to experimental data obtained with the small format pouch cells. We demonstrate that the cells produced with the coal-derived graphite have a lower BOL capacity than the commercial material, but also boast a lower BOL resistance. Using a series of virtual design sweeps, we analyze the impact of various cell design parameters (electrode porosity, electrode loading, and active material particle size) on cell performance. We then developed aging models to simulate capacity degradation in the pouch cells. Our models demonstrate that solid electrolyte interphase (SEI) formation is the dominant degradation mechanism in these cells. Overall, this work provides an assessment of the utility of coal-derived graphites as battery anode materials in EVs, and a virtual tool for screening new cell designs that can be extrapolated to the battery pack level. References Paul, A. et al. Application of the Multi-Species, Multi-Reaction Model to Coal-Derived Graphite for Lithium-Ion Batteries. J. Electrochem. Soc. 171 , 023501 (2024). Paul, A. et al. Quantifying the Temperature Dependence of the Multi-Species, Multi-Reaction Model. Part 1: Parameterization for a Meso-Carbon Micro-Bead Graphite. ECS Adv. 3 , 042501 (2024). Paul, A. et al. Quantifying the Temperature Dependence of the Multi-Species, Multi-Reaction Model: Part II. Estimation of Entropy Coefficient for Meso-Carbon Micro-Bead Graphite. J. Electrochem. Soc. 171 , 103505 (2024).

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