Journal
ENERGY & FUELS
Volume 28, Issue 11, Pages 7227-7234Publisher
AMER CHEMICAL SOC
DOI: 10.1021/ef501806s
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Funding
- program of the Office of Basic Energy Sciences, Office of Science, U.S. Depaanient of Energy [DE-SC0002645]
- U.S. Department of Energy (DOE) [DE-SC0002645] Funding Source: U.S. Department of Energy (DOE)
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This work presents the results of an experimental and computational study of methyl trans-3-hexenoate autoignition. Experimental autoignition studies were conducted using the University of Michigan rapid compression facility. Pressure time histories were used to determine ignition delay times as a function of test gas composition and experimental conditions. The fuel/oxygen equivalence ratio and dilution level were phi = 0.3 and inert/O-2 = 3.76 (mole basis). End of compression conditions targeted an average pressure of 10.5 atm and temperatures ranging from 884 to 1085 K. A correlation in Arrhenius form was developed by regression analysis of the experimental data, where the ignition delay time is tau(ign) (ms) = 1.4 x 10(6) exp[30 100/((R) over bar T-(cal mol1 K1))] with a R-2 value of 0.99. Gas-sampling experiments were also conducted to measure stable intermediates formed during autoignition. A detailed reaction mechanism was developed and model predictions were compared to the experimental data. While ignition delay time predictions are in excellent agreement with the experimental data, the speciation results highlight uncertainties in the reaction chemistry of unsaturated esters and small hydrocarbon intermediates.
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