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Investigation of the Laminar Premixed n-Propylamine Flame

Journal of Thermal Science 2022年第3期31卷 854-866页

作者： LI Wang CHEN Jintao YANG Jiuzhong TIAN Zhenyu Institute of Engineering Thermophysics Chinese Academy of SciencesBeijing100190China University of Chinese Academy of Sciences Beijing100049China National Synchrotron Radiation Laboratory University of Science and TechnologyHefei230029China

The laminar premixed n-propylamine(NPA)flame with equivalence ratio of 1.70 has been investigated at 4666.28 Pa using tunable synchrotron photoionization and molecular-beam mass spectrometry *** structures and mole fractions of 40 species were ***,allylamine,butadiyne,vinylacetylene,1,3-butadiene,1-butene,2-butene,n-butyl radical,1,3-cyclopentadiene,cyclopentene,2-pentene,benzene,toluene,ethylbenzene,2-propen-1-imine,cyclopropanimine,pyrrole,2-butenenitrile and n-butylamine were newly identified in the amine *** fraction profiles of some species including reactants,intermediates and products in the NPA flame were *** and N_(2)were observed as the primary N-containing products in the NPA flame,which was different from the result that NO was the major N-containing products in previous studies of nitrogen *** bond energies of NPA were calculated through quantum chemistry calculations on the basis of density functional theory at the CBS-QB3 *** showed that the CH_(3)CH_(2)-CH_(2)NH_(2)bond was the weakest and NPA mainly decomposed to CH_(2)NH_(2)and C_(2)H_(5)*** H-abstractions at C_(α)by OH/O(NPA+OH=CH_(3)CH_(2)CHNH_(2)+H_(2)O and NPA+O=CH_(3)CH_(2)CHNH_(2)+OH)had significant promoting effects on NPA *** N conversion chain of NPA under flame conditions was proposed and detailed analysis with respect to intermediates especially the nitrogen-containing species were *** results will enrich the understanding of NPA flame and are essential to further establish the kinetic mechanism.

关键词： n-propylamine low-pressure laminar premixed flame intermediates mole fraction quantum chemistry calculation molecular beam mass spectrometry

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Comprehensive Theoretical and Experimental Studies on the CF3H Fire-extinguishing Mechanism

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Chinese Journal of Chemistry 2011年第7期29卷 1335-1340页

作者：周晓猛周彪 College of Environmental Science and Engineering Nankai University Tianjin 300071 China

In order to clarify the chemical suppression mechanisms of CF3H, experimental and theoretical studies were conducted respectively in this paper. Firstly, the combustion species in low pressure laminar premixed flat methane flames with CF3H addition is measured by synchrotron radiation molecular beam mass spectrometry （SR-MBMS） experimentally. Fire suppression chemistry of CF3H is investigated by selective detection of combustion radicals and intermediates in experimental process. Secondly, quantum chemistry calculations are performed to calculate the potential energy surfaces （PES） for the CF3H unimolecular dissociation reaction and reactions of CF3H with free radical OH and H at the B3LYP/6-311-F ＋G＊＊ and QCISD（T）/6-311＋＋G＊＊ levels. Finally, the chemical suppression mechanism of CF3H was discussed by comparing the theoretical calculation with experimental measurement.

关键词： Halon CF3H fire-suppression mechanism quantum chemistry molecular beam mass spectrometry

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Experimental study on inhibition of low pressure premixed flat methane-oxygen flames by trifluoromethane

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Science Bulletin 2005年第14期 23-28页

作者： CONG Beihua1, QI Fei2, LIAO Guangxuan1, KUANG Kaiqiang1 & ZHOU Xiaomeng1 1. State Key Laboratory of Fire Science, University of Science and Technology of China, Hefei 230026, China 2. National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei 230026, China

This paper presents measurements of combus- tion species of low pressure laminar premixed flat meth- ane-oxygen flames inhibited by trifluoromethane (CF3H) using synchrotron radiation-molecular beam mass spec- trometry (SR-MBMS). Fire suppression chemistry of CF3H is investigated by selective detection of combustion radicals and intermediates. Results show that SR-MBMS offers a powerful tool for studying fire suppression chemistry of ha- lon replacements, which may extensively detect combustion species in the inhibited flames, especially radicals and inter- mediates. The suppressant CF3H is completely consumed in the preheat zone of premixed flames and produces fluori- nated radicals such as CF3 and CF2. CF3 is the main radical participating in flame inhibition cycles in the reactive zone. Unlike HBr, HF produced by CF3H is very stable and will not act as a radical scavenger because the bond energy of H-F is much higher than that of H-Br, which is responsible for less effectiveness than conventional bromine-based sup- pressants.

关键词： flame inhibition trifluoromethane molecular beam mass spectrometry synchrotron radiation photoionization.

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