Investigation of the Laminar Premixed n-Propylamine Flame  

作　　者：LI Wang CHEN Jintao YANG Jiuzhong TIAN Zhenyu 

机构地区：[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,Hefei,230029,China

出　　处：《Journal of Thermal Science》2022年第3期854-866,共13页热科学学报（英文版）

基　　金：funding supports from National Natural Science Foundation of China(No.52161145105);the Ministry of Science and Technology of China(No.2017YFA0402800);Beijing Municipal Natural Science Foundation(JQ20017);K.C.Wong Education Foundation;Recruitment Program of Global Youth Experts。

摘　　要：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 techniques.Chemical structures and mole fractions of 40 species were determined.Ethenol,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 flames.Mole fraction profiles of some species including reactants,intermediates and products in the NPA flame were given.HCN 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 flames.The bond energies of NPA were calculated through quantum chemistry calculations on the basis of density functional theory at the CBS-QB3 level.It 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)radicals.The 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 consumption.The N conversion chain of NPA under flame conditions was proposed and detailed analysis with respect to intermediates especially the nitrogen-containing species were provided.The 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 

分 类 号：TQ038[化学工程]