Experimental and modeling study of the oxidation of n- and iso-butanal
AuthorsVeloo, Peter S.
Westbrook, Charles K.
Egolfopoulos, Fokion N.
KAUST DepartmentClean Combustion Research Center
Physical Sciences and Engineering (PSE) Division
Chemical and Biological Engineering Program
Permanent link to this recordhttp://hdl.handle.net/10754/562928
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AbstractUnderstanding the kinetics of large molecular weight aldehydes is essential in the context of both conventional and alternative fuels. For example, they are key intermediates formed during the low-temperature oxidation of hydrocarbons as well as during the high-temperature oxidation of oxygenated fuels such as alcohols. In this study, an experimental and kinetic modeling investigation of n-butanal (. n-butyraldehyde) and iso-butanal (. iso-butyraldehyde or 2-methylpropanal) oxidation kinetics was performed. Experiments were performed in a jet stirred reactor and in counterflow flames over a wide range of equivalence ratios, temperatures, and pressures. The jet stirred reactor was utilized to observe the evolution of stable intermediates and products for the oxidation of n- and iso-butanal at elevated pressures and low to intermediate temperatures. The counterflow configuration was utilized for the determination of laminar flame speeds. A detailed chemical kinetic interpretative model was developed and validated consisting of 244 species and 1198 reactions derived from a previous study of the oxidation of propanal (propionaldehyde). Extensive reaction pathway and sensitivity analysis was performed to provide detailed insight into the mechanisms governing low-, intermediate-, and high-temperature reactivity. The simulation results using the present model are in good agreement with the experimental laminar flame speeds and well within a factor of two of the speciation data obtained in the jet stirred reactor. © 2013 The Combustion Institute.
SponsorsAt CNRS, the research leading to these results has received funding from the European Research Council under the European Community's Seventh Framework Programme (FP7/2007-2013)/ERC Grant Agreement No. 291049 - 2G-CSafe.At USC and Princeton, this work is supported as part of the CEFRC, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Award Number DE-SC0001198.The work at LLNL was performed under the auspices of the U.S. Department of Energy under Contract DE-AC52-07NA27344.The research at KAUST was funded by the Clean Combustion Research Center.
JournalCombustion and Flame