A wide-range experimental and kinetic modeling study of the pyrolysis and oxidation of 2-butyne |
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| Affiliation: | 1. Institute of Engineering Thermophysics, Chinese Academy of Sciences, Beijing, China;2. School of Engineering Science, University of Chinese Academy of Sciences, Beijing, China;3. Combustion Chemistry Centre, School of Biological and Chemical Sciences, Ryan Institute, MaREI, University of Galway, Ireland;5. King Abdullah University of Science and Technology (KAUST), Clean Combustion Research Center (CCRC), Thuwal, Saudi Arabia;6. School of Energy and Power Engineering, Huazhong University of Sci. & Tech., Wuhan, Hubei, China;7. Mike Walker’66 Department of Mechanical Engineering, Texas A&M University, College Station, TX, USA;8. Chair of High Pressure Gas Dynamics (HGD), Shock Wave Laboratory, RWTH Aachen University, 52056 Aachen, Germany;1. Institute of Combustion Technology, German Aerospace Center (DLR), Pfaffenwaldring 38-40, 70569 Stuttgart, Germany;2. Laboratory for Synchrotron Radiation and Femtochemistry, Paul Scherrer Institute, 5232 Villigen, Switzerland;3. Mass Spectrometry in Reactive Flows, University of Duisburg-Essen, Lotharstraße 1, 47057 Duisburg, Germany;4. Division 9, State Health Office, Nordbahnhofstraße 135, 70191 Stuttgart, Germany;5. Technical Thermodynamics, Paderborn University, 33098 Paderborn, Germany;1. King Abdullah University of Science and Technology (KAUST), Clean Combustion Research Center (CCRC), Thuwal 23955-6900, Saudi Arabia;2. National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei, Anhui 230029, PR China;3. Key Laboratory of Fire Science, University of Science and Technology of China, Hefei, Anhui 230026, PR China;1. National Key Laboratory of Science and Technology on Aero-Engine Aero-Thermodynamics, School of Energy and Power Engineering, Beihang University, Beijing 100191, PR China;2. National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei, Anhui 230029, PR China;3. State Key Laboratory of High Temperature Gas Dynamics, Chinese Academy of Sciences, Beijing 100190, PR China;1. King Abdullah University of Science and Engineering (KAUST), Clean Combustion Research Center, Physical Sciences and Engineering Division, Thuwal 23955-6900, Saudi Arabia;2. Molecular Science and Nano-Materials Lab, Institute for Computational Science and Technology, SBI Building, Quang Trung Software City, Tan Chanh Hiep Ward, District 12, Ho Chi Minh City, Vietnam;3. University of Science, Vietnam National University – HCMC, 227 Nguyen Van Cu, Ward 4, District 5, Ho Chi Minh City, Vietnam;4. Vietnam National University – HCMC, Quarter 6, Linh Trung Ward, Thu Duc City, Ho Chi Minh City, Vietnam;5. International University, Quarter 6, Linh Trung Ward, Thu Duc City, Ho Chi Minh City, Vietnam;1. State Key Laboratory of Coal Combustion, School of Energy and Power Engineering, Huazhong University of Science and Technology, Wuhan, Hubei, China;2. Materials Science Division, Lawrence Livermore National Laboratory, Livermore, USA;3. School of Environmental and Safety Engineering, North University of China, Taiyuan, 030051, China;4. Combustion Chemistry Centre, School of Biological and Chemical Sciences, Ryan Institute, MaREI, University of Galway, Galway, Ireland |
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| Abstract: | To reduce particulate emissions leading to a cleaner environment, it is important to understand how polycyclic-aromatic hydrocarbons (PAHs) and their precursors are formed during combustion. 2-butyne can decompose to propargyl and allyl radicals. These radicals can produce benzene and other PAHs, leading to the formation of soot. In the present study, pyrolysis, oxidation, and laminar flame speed experiments were performed for 2-butyne. The pyrolysis experiments were conducted in a single-pulse shock tube at 2 bar in the temperature range 1000 – 1500 K. Ignition delay times for 2-butyne/‘air’ mixtures were measured in the pressures range 1 – 50 bar, over the temperature range 660 – 1630 K, at equivalence ratios of 0.5, 1.0, and 2.0 using rapid compression machines and shock tubes. Moreover, laminar flame speed (LFS) experiments were performed at ambient temperature, at p = 1 – 3 atm, over an equivalence ratio range of 0.6 – 1.8. A new, detailed chemical kinetic model for 2-butyne has been developed and widely validated against the data measured in this study and those available in the literature. The significant reactions for 2-butyne pyrolysis, ignition, and oxidation are identified and discussed using flux and sensitivity analyses. |
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