Experimental study of ethylene carbonate (EC) pyrolysis and oxidation in jet-stirred reactor by SVUV-PIMS

IF 5.8 2区工程技术 Q2 ENERGY & FUELS

Combustion and Flame Pub Date : 2025-02-11 DOI:10.1016/j.combustflame.2025.114002

Bin Dong , Yushen Yu , Qingbo Zhu , Bingzhi Liu , Kuiwen Zhang , Jun Fang , Longhua Hu , Zhandong Wang

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引用次数: 0

Abstract

Ethylene carbonate (EC) is a major component of the widely used lithium-ion battery (LIB) electrolytes, therefore it is of great importance for the risk assessment of LIB fires. In this work, the pyrolysis and oxidation of EC (equivalence ratio of 0.5) was investigated in a jet-stirred reactor (JSR) coupled to synchrotron vacuum ultraviolet photoionization mass spectrometry (SVUV-PIMS) and gas chromatography at atmospheric pressure, with initial EC mole fraction of 0.0021 and residence time of 2 s. The mole fraction profiles of reaction products measured in this work, including hydrogen, water, carbon monoxide, carbon dioxide, C₁C₂ hydrocarbons, formaldehyde, acetaldehyde, ketene and etc., were utilized to validate the recently proposed electrolyte surrogate models in the literatures. The results showed that the prediction of ketene yield in EC pyrolysis, as well as the prediction of EC reactivity in EC oxidation, are poor using the previous models. Therefore, based on reaction pathway analysis and sensitivity analysis in JSR, the kinetic model of EC in the literature was improved by updating and tuning the rate constants of some key reactions related to the formation and consumption of formyl methyl radical (ĊH₂CHO) and ketene. The updated model could predict EC consumption and the yield of major species better than those predicted by models in the literatures. In addition, from the oxidation results of EC, we found that the reactivity of EC could be significantly enhanced by hydroxyl radical (ȮH) produced by the reaction of formyl methyl radical with oxygen.

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来源期刊

Combustion and Flame 工程技术-工程：化工

CiteScore

9.50

自引率

20.50%

发文量

631

审稿时长

3.8 months

期刊介绍： The mission of the journal is to publish high quality work from experimental, theoretical, and computational investigations on the fundamentals of combustion phenomena and closely allied matters. While submissions in all pertinent areas are welcomed, past and recent focus of the journal has been on: Development and validation of reaction kinetics, reduction of reaction mechanisms and modeling of combustion systems, including: Conventional, alternative and surrogate fuels; Pollutants; Particulate and aerosol formation and abatement; Heterogeneous processes. Experimental, theoretical, and computational studies of laminar and turbulent combustion phenomena, including: Premixed and non-premixed flames; Ignition and extinction phenomena; Flame propagation; Flame structure; Instabilities and swirl; Flame spread; Multi-phase reactants. Advances in diagnostic and computational methods in combustion, including: Measurement and simulation of scalar and vector properties; Novel techniques; State-of-the art applications. Fundamental investigations of combustion technologies and systems, including: Internal combustion engines; Gas turbines; Small- and large-scale stationary combustion and power generation; Catalytic combustion; Combustion synthesis; Combustion under extreme conditions; New concepts.