Oxidation study of n-propylamine with SVUV-photoionization molecular-beam mass spectrometry |
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| Affiliation: | 1. Institute of Engineering Thermophysics, Chinese Academy of Sciences, Beijing 100190, China;2. University of Chinese Academy of Sciences, Beijing 100049, China;3. National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei 230029, China;1. Chinese Academy of Sciences, Institute of Engineering Thermophysics, Beijing 100190, China;2. University of Chinese Academy of Sciences, Beijing 100049, China;3. Laboratory LSIA, ENSAH, Abdelmalek Essaadi University, Tetouan, Morocco;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;3. National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei, Anhui 230029, PR China;4. Department of Mechanical and Aerospace Engineering, Princeton University, Princeton, NJ 08544, USA;1. CRECK Modelling Lab, Department of Chemistry, Materials and Chemical Engineering “G. Natta”, Politecnico di Milano, P.zza Leonardo da Vinci 32, 20133 Milano, Italy;2. Chair of High Pressure Gas Dynamics, Shock Wave Laboratory, RWTH Aachen University, 52056 Aachen, Germany |
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| Abstract: | This work reports the experimental results of n-propylamine (NPA) oxidation in a jet-stirred reactor at 1 atm within 625–875 K, equivalence ratios from 0.5 to 2.0. Oxidation products and intermediates were identified and quantified with synchrotron vacuum ultraviolet photoionization mass spectrometry. Apart from various hydrocarbons, oxygenated and nitrogenous species reported in previous studies of amines, several intermediates were newly detected, including formamide (H2NCHO), nitromethane (CH3NO2), nitrous acid (HNO2), 2-propen-1-ol (C3H5OH) and 2-propenal (C2H3CHO). A detailed kinetic model consisting of 277 species and 2314 reactions was developed with reasonable predictions against the measured data. The rate-of-production and sensitivity analyses results show that NPA oxidation at low temperatures is dominated by the reaction with HO2. Particular attention was paid to the main oxidation product HCN, because its formation is affected by both fuel structure and reaction temperature. The equivalence ratio changes have an opposite effect on HCN concentration in NPA oxidation compared with the pyrrole oxidation and ethylamine flame. In the current study, the peak mole fraction of HCN decreases with increasing equivalence ratio, because the formation of C N triple bond in HCN requires successive H-abstractions, dominantly controlled by the concentrations of OH/HO2 radicals and O2. In addition, a comparison between the experimental results of NPA oxidation and pyrolysis was performed to illustrate the effect of O2 concentration on reaction routes. Current results provide a preliminary insight into the combustion kinetics of more complicated aliphatic amines. |
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