Experimental and modelling study of speciation and benzene formation pathways in premixed 1-hexene flames

被引：26
作者：
Nawdiyal, A. [1 ]
Hansen, N. [2 ]
Zeuch, T. [3 ]
Seidel, L. [1 ]
Mauss, F. [1 ]
机构：
[1] Brandenburg Tech Univ Cottbus, D-03046 Cottbus, Germany
[2] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA
[3] Univ Gottingen, Inst Phys Chem, D-37077 Gottingen, Germany
来源：
PROCEEDINGS OF THE COMBUSTION INSTITUTE | 2015年 / 35卷
关键词：
1-Hexene flames; Benzene formation pathways; Molecular beam sampling; Near threshold ionization; Fulvene; COMBUSTION CHEMISTRY; AROMATIC-COMPOUNDS; REACTION-MECHANISM; SHOCK-TUBE; OXIDATION; ACETYLENE; CYCLOHEXANE; ISOMERS; PROPENE; !text type='JS']JS[!/text]R;
D O I：
10.1016/j.proci.2014.06.047
中图分类号：
O414.1 [热力学];
学科分类号：
摘要：
An existing detailed and broadly validated kinetic scheme is augmented to capture the flame chemistry of 1-hexene under stoichiometric and fuel rich conditions including benzene formation pathways. In addition, the speciation in a premixed stoichiometric 1-hexene flame (flat-flame McKenna-type burner) has been studied under a reduced pressure of 20-30 mbar applying flame-sampling molecular-beam time-of-flight mass spectrometry and photoionization by tunable vacuum-ultraviolet synchrotron radiation. Mole fraction profiles of 40 different species have been measured and validated against the new detailed chemical reaction model consisting of 275 species and 3047 reversible elementary reactions. A good agreement of modelling results with the experimentally observed mole fraction profiles has been found under both stoichiometric and fuel rich conditions providing a sound basis for analyzing benzene formation pathways during 1-hexene combustion. The analysis clearly shows that benzene formation via the fulvene intermediate is a very important pathway for 1-hexene. (C) 2014 The Combustion Institute. Published by Elsevier Inc. All rights reserved.
引用
收藏
页码：325 / 332
页数：8
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