Khan-Ghauri Maryam, Diévart Pascal, Grégoire Claire M, Kanayama Keisuke, Almarzooq Yousef, Takahashi Shintaro, Tezuka Takuya, Nakamura Hisashi, Catoire Laurent, Maruta Kaoru, Petersen Eric L, Mathieu Olivier
J. Mike Walker '66 Department of Mechanical Engineering, Texas A&M University, College Station, Texas 77843, United States.
CNRS-INSIS, I.C.A.R.E., 1C, Avenue de la Recherche Scientifique, 45071 Orléans Cedex 2, France.
Energy Fuels. 2025 Jan 22;39(10):4893-4908. doi: 10.1021/acs.energyfuels.4c05359. eCollection 2025 Mar 13.
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, CO, CHF, CFO, CF, 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. , , 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.
双（2,2,2-三氟乙基）碳酸酯（BtFEC）是一种有望用于锂离子电池（LIBs）的灭火剂。众所周知，锂离子电池中的电解质成分极易燃烧，这使得它们无论因制造缺陷还是锂离子电池本身的滥用都容易着火。为应对这一风险，在高温燃烧环境中对BtFEC作为灭火剂的效率进行了实验研究，以便对模型进行进一步完善和验证。使用激波管，在反射激波后对BtFEC的燃烧特性进行了实验测量，通过捕获OH*化学发光来评估点火延迟时间（IDT），并通过激光吸收光谱法测量CO的时间历程曲线。在近常压下，对于约1200 - 1650 K的温度范围，用三种当量比（ϕ = 0.5、1.0和1.5）捕获了热解和氧化条件。此外，使用具有与傅里叶变换红外光谱（FTIR）相关的可控温度分布的微流反应器（MFR）进行了关键物种测量。在800 - 1300 K的温度范围内研究的关键物种有BtFEC、CO、CO、CHF、CFO、CF和HF。与之前的研究[Mathieu等人，，499]相比，MFR测量提供了一组新的测量数据，之前的研究中模型的首次组装使用了CO时间历程、IDT和层流火焰速度测量。通过新的高级计算以及使用文献中最新反应速率更新进行的灵敏度、生成速率和反应途径分析对模型进行了完善。这些修改使动力学模型与新实验数据之间的吻合程度得到了提高。
