Experimental and modeling study of the oxidation of n- and iso-butanal

Veloo PS, Dagaut P, Togbé C, Dayma G, Sarathy SM, Westbrook CK, Egolfopoulos FN (2013)
Combustion And Flame 160(9): 1609-1626.

Journal Article | Published | English

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Abstract
Understanding 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. (c) 2013 The Combustion Institute. Published by Elsevier Inc. All rights reserved.
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Veloo PS, Dagaut P, Togbé C, et al. Experimental and modeling study of the oxidation of n- and iso-butanal. Combustion And Flame. 2013;160(9):1609-1626.
Veloo, P. S., Dagaut, P., Togbé, C., Dayma, G., Sarathy, S. M., Westbrook, C. K., & Egolfopoulos, F. N. (2013). Experimental and modeling study of the oxidation of n- and iso-butanal. Combustion And Flame, 160(9), 1609-1626.
Veloo, P. S., Dagaut, P., Togbé, C., Dayma, G., Sarathy, S. M., Westbrook, C. K., and Egolfopoulos, F. N. (2013). Experimental and modeling study of the oxidation of n- and iso-butanal. Combustion And Flame 160, 1609-1626.
Veloo, P.S., et al., 2013. Experimental and modeling study of the oxidation of n- and iso-butanal. Combustion And Flame, 160(9), p 1609-1626.
P.S. Veloo, et al., “Experimental and modeling study of the oxidation of n- and iso-butanal”, Combustion And Flame, vol. 160, 2013, pp. 1609-1626.
Veloo, P.S., Dagaut, P., Togbé, C., Dayma, G., Sarathy, S.M., Westbrook, C.K., Egolfopoulos, F.N.: Experimental and modeling study of the oxidation of n- and iso-butanal. Combustion And Flame. 160, 1609-1626 (2013).
Veloo, Peter S., Dagaut, Philippe, Togbé, Casimir, Dayma, Guillaume, Sarathy, S. Mani, Westbrook, Charles K., and Egolfopoulos, Fokion N. “Experimental and modeling study of the oxidation of n- and iso-butanal”. Combustion And Flame 160.9 (2013): 1609-1626.
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