Study on oxidation and pyrolysis of carbonate esters using a micro flow reactor with a controlled temperature profile. Part I: Reactivities of dimethyl carbonate, ethyl methyl carbonate and diethyl carbonate

• DOI: 10.1016/j.combustflame.2021.111810
• Publication Date: 2021-11-04T04:10:39Z
• Authors: Keisuke Kanayama; Shintaro Takahashi; Shota Morikura; Hisashi Nakamura; Takuya Tezuka; Kaoru Maruta
• Keywords: Dimethyl carbonate; Diethyl carbonate; Carbonate Ion

Carbonate esters such as dimethyl carbonate (DMC), ethyl methyl (EMC) and diethyl (DEC) are widely used electrolyte solvents in a lithium-ion battery (LIB) considered one of potential fire causes. This study investigates difference gas-phase reactivities DMC, EMC DEC. Species measurements for oxidation (equivalence ratio 1.0) pyrolysis DMC DEC at maximum wall temperatures Tw,max = 700–1300 K atmospheric pressure were performed using gas chromatograph connected to micro flow reactor with controlled temperature profile (MFR). Measured mole fractions C2H4 CO2 the case started increasing low (Tw,max 750 K), while those CH4 an intermediate 1050 K). Gas-phase three found be < ≈ through observation their weak flames. Computational species heat release rate profiles showed three-stage reaction: thermal decomposition, decomposition products CO CO2. reaction is distinct from driven by low-temperature observed n-heptane DME earlier studies. Rate production analysis indicated that principal fuel consumption reactions H-atom abstraction was producing C2H4. Based on path oxidation, initial-stage produced few active radicals region. The reactivity between is, therefore, mainly primary relies molecular structure. Considering existence ester group EMC, dominant would similar