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An extensive experimental and modeling study of 1-butene oxidation

Li, Yang
; 
Zhou, Chong-Wen
; 
Curran, Henry J.
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Publication Date
2017-04-13
Keywords
1-Butene, Shock tube, Rapid compression machine, Chemical kinetics, Ignition delay time, Rapid compression machine, Ethylene air mixtures, Laminar flame speeds, Pressure shock tube, Gas phase, Elevated pressures, Chemical kinetics, Rate rules, Rate coefficients, Branching ratios
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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
Abstract
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.
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Publisher
Elsevier
Publisher DOI
10.1016/j.combustflame.2017.03.023
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Attribution-NonCommercial-NoDerivs 3.0 Ireland
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School of Biological and Chemical Sciences (Scholarly Articles)