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Abstract:
Species concentrations for 2-methyl-2-butene oxidation and pyrolysis were measured in a jet-stirred reactor at atmospheric pressure, in the temperature range of 650 to 1200 K and the residence time of 1.5 s. The model presented in literature was modified based on the high-level quantum calculated rate coefficients published, including 1,2-dimethyl-allyl (AC5H9[sbnd]C) + HO2, 1,2-dimethyl-allyl + O2, 1,2-dimethyl-allyl + 1,2-dimethyl-allyl, isoprene + H reaction classes. The modified model was validated against the measured species concentrations, ignition delay times and laminar flame speeds. The modified model can accurately predict experimental data under various conditions. Moreover, flux analysis showed that the major pathways were abstraction reactions that consumed more than 40% 2-methyl-2-butene. At lower temperatures, reactions of HO2 addition, O2 addition and radical self-combination were the dominant consumption path for allylic pentenyl radicals. Sensitivity analysis showed that HO2 additions to AC5H9[sbnd]C radicals, forming AC5H9[sbnd]COOH, BC5H9-AOOH, and C5H9O oxy-radicals + OH played important roles in promoting the overall reactivity. © 2022 The Combustion Institute
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Combustion and Flame
ISSN: 0010-2180
Year: 2022
Volume: 242
4 . 1 8 5
JCR@2020
ESI Discipline: ENGINEERING;
ESI HC Threshold:7
Cited Count:
WoS CC Cited Count: 0
SCOPUS Cited Count: 2
ESI Highly Cited Papers on the List: 0 Unfold All
WanFang Cited Count:
Chinese Cited Count:
30 Days PV: 8
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