Three Dimensional Thermal Abuse Reaction Model for Lithium Ion Batteries

Three dimensional computer models for simulating thermal runaway of lithium ion battery was developed. The three-dimensional model captures the shapes and dimensions of cell components and the spatial distributions of materials and temperatures, so we could consider the geometrical features, which are critical especially in large cells. An array of possible exothermic reactions, such as solid-electrolyte-interface (SEI) layer decomposition, negative active/electrolyte reaction, and positive active/electrolyte reaction, were considered and formulated to fit experimental data from accelerating rate calorimetry and differential scanning calorimetry. User subroutine code was written to implement NREL developed approach and to utilize a commercially available solver. The model is proposed to use for simulation a variety of lithium-ion battery safety events including thermal heating and short circuit.