Abstract
To improve our understanding of the combustion characteristics of propyne, new experimental data for ignition delay times (IDTs), pyrolysis speciation profiles and flame speed measurements are presented in this study. IDTs for propyne ignition were obtained at equivalence ratios of 0.5, 1.0, and 2.0 in ‘air’ at pressures of 10 and 30 bar, over a wide range of temperatures (690–1460 K) using a rapid compression machine and a high-pressure shock tube. Moreover, experiments were performed in a single-pulse shock tube to study propyne pyrolysis at 2 bar pressure and in the temperature range 1000–1600 K. In addition, laminar flame speeds of propyne were studied at an unburned gas temperature of 373 K and at 1 and 2 bar for a range of equivalence ratios. A detailed chemical kinetic model is provided to describe the pyrolytic and combustion characteristics of propyne across this wide-ranging set of experimental data. This new mechanism shows significant improvements in the predictions for the IDTs, fuel pyrolysis and flame speeds for propyne compared to AramcoMech3.0. The improvement in fuel reactivity predictions in the new mechanism is due to the inclusion of the propyne + HȮ2 reaction system along with ȮH radical addition to the triple bonds of propyne and subsequent reactions.
Highlights
Propyne is one of the major intermediate species in the oxidation of heavier hydrocarbon fuels and can oxidize to propargyl radicals which can recombine to benzene leading to larger poly-aromatic hydrocarbons and soot
Ignition delay times (IDTs) of propyne oxidation was first measured by Radhakrishnan and Burcat [2] in a reflected shock tubes (STs) in the temperature range 1125–2000 K at pressures ranging from 4 to 13 atm
Comparisons of model predictions compared to speciation data from propyne (C3H4-p) pyrolysis, IDT measurements, as well as laminar burning velocities at elevated temperature conditions are presented
Summary
Propyne is one of the major intermediate species in the oxidation of heavier hydrocarbon fuels and can oxidize to propargyl radicals which can recombine to benzene leading to larger poly-aromatic hydrocarbons and soot. Several investigations of the oxidation of propyne have been performed using shock tubes (STs) [1,2], flow reactors [3], jet-stirred reactors (JSRs) [4,5] and a laminar flame burner [3]. Most of these studies were entirely focused on high temperature conditions. One investigation of laminar flame velocity has been reported by Davis et al [3] for equivalence ratios ranging from 0.7 to 1.7 at atmospheric pressure and at room temperature These studies developed kinetic mechanisms to model their experimental measurements. It is observed that reactions of propyne with hydroxyl and hydroperoxyl radicals, and subsequent chain-branching reactions of the resultant radicals are found to play a dominant role in the current kinetic mechanism
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