An extensive experimental and modeling study of 1-butene oxidation
Curran, Henry J.
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Li, Yang, Zhou, Chong-Wen, & Curran, Henry J. (2017). An extensive experimental and modeling study of 1-butene oxidation. Combustion and Flame, 181, 198-213. doi: https://doi.org/10.1016/j.combustflame.2017.03.023
In this study, a series of ignition delay time (IDT) experiments of 1-butene were performed in a high-pressure shock tube (HPST) and in a rapid compression machine (RCM) under conditions of relevance to practical combustors. This is the first 1-butene IDT data taken at engine relevant conditions, and the combination of HPST and RCM results greatly expands the range of data available for the oxidation of 1-butene to higher pressures (10-50 atm), lower temperatures (670-1350 K) and to a wide range of equivalence ratios (0.5-2.0).A comprehensive chemical kinetic mechanism to describe the combustion of 1-butene has simultaneously been applied. It has been validated using the IDT data measured here in addition to a large variety of literature data: IDTs, speciation data from jet-stirred reactor (JSR), premixed flame, and flow reactor, and laminar flame speed data. Important reactions have been identified via flux and sensitivity analyses including: (a) H-atom abstraction from 1-butene by hydroxyl radicals and molecular oxygen from different carbon sites; (b) addition reactions, including hydrogen atom and hydroxyl radical addition to 1-butene; (c) allylic radical chemistry, including the addition reactions with methyl radical, hydroperoxy radical and self-recombination; (d) vinylic radical chemistry, including the addition reaction with molecular oxygen; (e) alcohol radical chemistry, including the Waddington type propagating reaction pathways and alkyl radical low-temperature branching chemical pathways. (C) 2017 The Combustion Institute. Published by Elsevier Inc. All rights reserved.