An experimental and kinetic modeling study of cyclopentane and dimethyl ether blends
Wagnon, Scott W.
Pitz, William J.
Curran, Henry J.
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Lokachari, Nitin, Wagnon, Scott W., Kukkadapu, Goutham, Pitz, William J., & Curran, Henry J. (2021). An experimental and kinetic modeling study of cyclopentane and dimethyl ether blends. Combustion and Flame, 225, 255-271. doi:https://doi.org/10.1016/j.combustflame.2020.10.017
Cyclopentane is a suitable naphthene, or cycloalkane, in a palette for multi-component gasoline surro- gate fuels due to its presence in market fuels and its relevance to alkyl substituted cyclopentanes also present. However, the previous oxidation studies of cyclopentane have primarily focused on neat mixtures. Blending cyclopentane with dimethyl ether in this work therefore serves to inform our understanding of, and improve predictive models for, multi-component mixtures. In this work, the auto-ignition of cyclopentane/dimethyl ether blends was studied in a high-pressure shock tube and in a rapid compression machine. A wide range of temperatures (650 1350 K) and elevated pressures of 20 and 40 bar were studied at equivalence ratios of 0.5, 1.0 and 2.0 in air for two blending ratios (30/70 and 70/30 mole% cyclopentane/di-methyl ether mixtures). A detailed kinetic model for cyclopentane was revised to capture the measured ignition delay times and apparent heat release rates in this study. Literature ignition delay time, jet-stirred reactor, and laminar burning velocity measurements of neat cyclopentane were used as additional validation. Improvements to the kinetic model were based on recent literature studies related to sub-models including cyclopentene and cyclopentadiene which allowed the removal of previous local rate-constant optimizations. Low temperature reactivity of cyclopentane was found to be controlled by the branching ratio between concerted elimination of H ˙O 2 and the strained formation of ˙ Q OOH radicals in agreement with previous studies. In this study, the low branching ratio of ˙ Q OOH formation increases the influence of a competing consumption pathway for cyclopentyl-peroxy (CPT ˙O 2 J) radicals. The sensitivity of the simulated ignition delay times to the formation of cyclopentyl hydroperoxide (CPTO 2 H), from CPT ˙O 2 J and H ˙O 2 , is discussed. The current model is used to analyze the influence of dimethyl ether on the reactivity of cyclopentane in the context of previous literature studies of dimethyl ether binary blends with ethanol and toluene.
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