A comprehensive experimental and improved kinetic modeling study on the pyrolysis and oxidation of propyne |
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| Authors: | Snehasish Panigrahy Jinhu Liang Shashank S Nagaraja Zhaohong Zuo Gihun Kim Shijun Dong Goutham Kukkadapu William J Pitz Subith S Vasu Henry J Curran |
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| Institution: | 1. Combustion Chemistry Centre, School of Chemistry, Ryan Institute, MaREI, National University of Ireland, Galway, Ireland;2. Center for Advanced Turbomachinery and Energy Research (CATER), Mechanical and Aerospace Engineering, University of Central Florida, Orlando, FL 32816, USA;3. School of Environmental and Safety Engineering, North University of China, Taiyuan, 030051, China;4. College of Chemistry and Chemical Engineering, Chongqing University, 401331 Chongqing, China;5. Lawrence Livermore National Laboratory, Livermore, CA 94551, USA |
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| 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 + H?2 reaction system along with ?H radical addition to the triple bonds of propyne and subsequent reactions. |
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