Bis(2,2,2-trifluoroethyl) Carbonate As a Fire Suppressant Candidate for Lithium-Ion Batteries

Bis(2,2,2-trifluoroethyl) carbonate (BtFEC) is a fire suppressant candidate for the use of lithium-ion batteries (LIBs). It is known that the electrolyte components in LIBs are highly flammable, making them susceptible to igniting, whether this is due to a manufacturing fault or an abuse of the LIB itself. To address this risk, the efficiency of BtFEC as a fire suppressant was investigated experimentally in a high-temperature combustion environment, allowing for further refinement and validation of the model. Using a shock tube, BtFEC combustion properties were measured experimentally behind a reflected shock wave, capturing OH* chemiluminescence to assess ignition delay times (IDT) as well as CO time-history profiles through the implementation of laser absorption spectroscopy. Both pyrolysis and oxidation conditions were captured with three equivalence ratios (ϕ = 0.5, 1.0, and 1.5) for a temperature range of ∼1200–1650 K at near-atmospheric pressures. In addition, key species measurements were taken using a microflow reactor (MFR) with a controlled temperature profile associated with Fourier transform infrared spectroscopy (FTIR). Key species investigated were BtFEC, CO, CO₂, CHF₃, CF₂O, C₂F₆, and HF for the temperatures range of 800–1300 K. MFR measurements allowed for a new set of measurements by which to validate the model compared to the previous study [Mathieu et al. Proc. Combust. Inst. 2023, 39, 499] where the first assembly of the model used CO time-history, IDT, and laminar flame speed measurements. Refinement of the model was carried out with new high-level calculations as well as sensitivity, rate-of-production, and reaction pathway analyses using recent reaction rate updates from the literature. The modifications led to improvements in the level of agreement between the kinetic modeling and the new experimental data.