Technical Paper
Development and Validation of a Reduced Chemical Kinetic Mechanism of Dimethyl Carbonate and Ethylene Carbonate
2024-04-09
2024-01-2085
With the recent development of electric vehicles, the demands of Lithium-ion batteries and advanced battery technologies are growing. Today, Lithium-ion batteries mainly use liquid electrolyte, which contains organic compounds such as dimethyl carbonate and ethylene carbonate as solvents for the Lithium salts. Thermal runaway is a complex process which can involve electrolyte decomposition and subsequent venting of combustible gases that could be readily ignited when mixed with air, leading to pronounced heat release from the combustion of the mixture. The chemical behavior of electrolyte during thermal runaway of Lithium-ion batteries is a critical process and needs to be part of thermal runaway modeling. Well validated, small size chemical kinetic mechanisms of the electrolyte components are required to describe this process in CFD simulations. In this work, sub-mechanisms of dimethyl carbonate and ethylene carbonate were developed and adopted in Ansys Model Fuel Library (MFL).