Abstract
In this study, we develop methods for extracting reaction parameters (e.g., rate and enthalpy) from the differential scanning calorimetry (DSC) profiles of [battery component + electrolyte] systems to simulate the thermal abuse behavior of NCA-based batteries using a modification of a previously reported 3D thermal model. The obtained parameters and model are validated by comparison of simulated and experimental thermal abuse behaviors, and the validated model is employed to investigate the influence of heat generation due to SEI decomposition and regeneration in the anode. Moreover, the effect of Mg substitution on the thermal runaway temperature of NCA-based batteries is probed by simulating the thermal abuse behaviors of NCA and Mg-NCA batteries, and the relationship between the DSC-determined heat generation behavior of battery components and the simulated thermal abuse behavior of batteries is discussed in detail.
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