A kinetic investigation on low-temperature ignition of propane with ozone addition in an RCM |
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| Institution: | 1. Center for Combustion Energy and Department of Energy and Power Engineering, Tsinghua University, Beijing 100084, PR China;2. Key Laboratory for Thermal Science and Power Engineering of MOE, International Joint Laboratory on Low Carbon Clean Energy Innovation, Tsinghua University, Beijing 100084, PR China;1. Key Laboratory for Power Machinery and Engineering of MOE, School of Mechanical Engineering, Shanghai Jiao Tong University, Shanghai 200240, PR China;2. CRECK Modeling Lab, Department of Chemistry, Materials, and Chemical Engineering “G. Natta”, Politecnico di Milano, Piazza L. da Vinci, 32, 20133 Milano, Italy;3. National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei, Anhui 230029, PR China;1. Mechanical and Industrial Engineering Department, University of Illinois at Chicago, 842W. Taylor St, Chicago IL 60607, U.S.A;2. Mechanical Science and Engineering Department, University of Illinois at Urbana-Champaign, 1206W. Green St, Urbana, IL 61801, U.S.A;1. Key Laboratory for Power Machinery and Engineering of MOE, School of Mechanical Engineering, Shanghai Jiao Tong University, Shanghai 200240, China;2. Institute of Thermal Engineering, Technische Universität Bergakademie Freiberg, Freiberg D-09599, Germany;1. Research Institute for Energy Conversion, National Institute of Advanced Industrial Science and Technology (AIST), 1-2-1 Namiki, Tsukuba 305-8564, Japan;2. Materials Science Division, Lawrence Livermore National Laboratory, Livermore, CA 94551, USA;3. Graduate School of Science and Engineering, Ibaraki University, 4-12-1 Nakanarusawa, Hitachi, Ibaraki 316-8511, Japan |
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| Abstract: | To extend the temperature for propane ignition to a lower region (< 680 K), ozone (O3) was used as an ignition promoter to investigate the low-temperature chemistry of propane. Ignition delay times for propane containing varying concentrations of O3 (0, 100, and 1000 ppm) were measured at 25 bar, 654–882 K, and equivalence ratios of 0.5 and 1.0 in a rapid compression machine (RCM). Species profiles during propane ignition with varying O3 concentrations were recorded using a fast sampling system combined with a gas chromatograph (GC). A kinetic model for propane ignition with O3 was developed. O3 shortened ignition delay times of propane significantly, and the NTC behavior was weakened. O atoms released from O3 reacted with propane through hydrogen abstraction reactions, which led to the fast production of OH radicals. The following oxidation of fuel radicals generated additional OH radicals. Consequently, the inhibition caused by the slow chemistry of hydrogen peroxide (H2O2) in the NTC region was weakened in the presence of O3. Experimental results with O3 addition can provide extra constraints on the low-temperature chemistry of propane. Species profiles during propane ignition at 730 K with 1000 ppm O3 addition showed the production of propanal (C2H5CHO), acetone (CH3COCH3), and acetaldehyde (CH3CHO) was promoted significantly. Model analyses indicated that O3 shifted the oxidation temperature of propane to a lower region, in which reactions of ROO radicals (NC3H7O2 and IC3H7O2) tend to generate RO radicals (NC3H7O and IC3H7O). The promotion of RO radicals led to the fast production of C2H5CHO, CH3COCH3, and CH3CHO. The corresponding species profile highlighted the reaction relevant to ROO and RO radicals (NC3H7O + O2 = C2H5CHO + HO2 and 2 IC3H7O2 = 2 IC3H7O + O2). Rate constants of these reactions were updated, which can potentially improve the performance of the core mechanism under lower temperatures and provide references for model development of larger hydrocarbons. |
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