Exploring fuel molecular structure effects on the pyrolysis chemistry of branched hexenes |
| |
| Institution: | 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. School of Chemical Engineering, Dalian University of Technology, Dalian, Liaoning 116024, PR China;2. Clean Combustion Research Center, King Abdullah University of Science and Technology, Thuwal 23955-6900, Saudi Arabia;3. National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei, Anhui 230029, 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. Clean Combustion Research Center, King Abdullah University of Science and Technology, Thuwal, 23955, Kingdom of Saudi Arabia;1. Center for Combustion Energy and Key Laboratory for Thermal Science and Power Engineering of MOE, Tsinghua University, Beijing 100084, China;2. Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Technology of China, Hefei, Anhui 230029, China;3. National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei 230029, 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. Key Laboratory for Power Machinery and Engineering of MOE, School of Mechanical Engineering, Shanghai Jiao Tong University, Shanghai 200240, P. R. China;2. Department of Applied Biology and Chemical Technology, the Hong Kong Polytechnic University, Hong Kong;3. School of Chemical Engineering, Dalian University of Technology, Dalian, Liaoning 116024, P. R. China |
| |
| Abstract: | 3,3-Dimethyl-1-butene (NEC6D3) and 2,3-dimethyl-2-butene (XC6D2) are representative branched alkene components in gasoline. This work experimentally investigated the pyrolysis of NEC6D3 and XC6D2 in a flow reactor (T = 950–1350 K, P = 0.04 atm) and a jet-stirred reactor (T = 730–1000 K, P = 1 atm) using synchrotron vacuum ultraviolet photoionization mass spectrometry (SVUV-PIMS) and gas chromatography (GC). A pyrolysis model of branched hexenes was proposed and validated against the new experimental data. The combined experimental observations and modeling analyses provide insights into the predominant fuel decomposition pathways and specific formation pathways of products under pyrolysis conditions. NEC6D3 exhibits a much higher reactivity than XC6D2 due to the existence of allylic C C bonds. Unimolecular decomposition reactions play the most crucial role in NEC6D3 decomposition, while in XC6D2 pyrolysis, fuel consumption is dominated by H-abstraction reactions and the H-assisted isomerization reaction. Fuel-specific pathways can remarkably influence the formation of pyrolysis products, especially the key C1C2 products, isomer pairs and dialkenes. Furthermore, the reactions involving propargyl radical dominate the formation of fulvene and aromatic products in the pyrolysis of both fuels, leading to more abundant production of C6 and larger cyclic products in XC6D2 pyrolysis. |
| |
| Keywords: | |
| 本文献已被 ScienceDirect 等数据库收录！ |
|
