A Multiphysics Model Simulating the Electrochemical, Thermal, and Thermal Runaway Behaviors of Lithium Polymer Battery

Lithium-ion batteries (LIBs) have circumvented the energy storage landscape for decades. However, safety concerns about liquid–electrolyte-based LIBs challenged their mobilization. Lithium polymer (LiPo) gained rising interest due to high thermal stability. Despite an array of commercially available LiPo batteries, limited studies ventured into modeling. Numerical simulations allow low-cost optimization existing battery designs through parameter analysis and material configuration, leading safer more energy-efficient batteries. This work examined electrochemical, thermal, runaway behavior a lithium cobalt oxide cathode, graphite anode, poly(vinylidene fluoride-hexafluoropropylene) electrolyte pouch-type using COMSOL Multiphysics®, validated results with experimental data. The simulated potential curve exhibited strong agreement experiment data, while temperature profile during discharge displayed qualitative discrepancies rationalized by reversible heat generation. Thermal via oven tests revealed that highest generation is from cathode–electrolyte reaction, solid interface decomposition initiates process. These suggest thorough selection cathode heighten safety. Overall, developed models can be utilized as design tools investigate various chemistries estimate performance