Structure of an n-heptane/toluene flame: Molecular beam mass spectrometry and computer simulation investigations

被引:19
作者
Knyazkov, D. A. [1 ,2 ]
Slavinskaya, N. A. [3 ]
Dmitriev, A. M. [1 ,2 ]
Shmakov, A. G. [1 ,2 ]
Korobeinichev, O. P. [1 ]
Riedel, U. [3 ]
机构
[1] Russian Acad Sci, Siberian Branch, Voevodsky Inst Chem Kinet & Combust, Novosibirsk 630090, Russia
[2] Novosibirsk State Univ, Novosibirsk 630090, Russia
[3] German Aerosp Ctr, Inst Combust Technol, D-70569 Stuttgart, Germany
关键词
soot precursor formation; detailed reaction mechanism; n-heptane; toluene; molecular beam mass spectrometry; LAMINAR PREMIXED FLAMES; PRIMARY REFERENCE FUELS; SOOT FORMATION; AUTO-IGNITION; ETHANE FLAMES; MIXTURES; OXIDATION; HYDROCARBONS; COMBUSTION; HEPTANE;
D O I
10.1134/S0010508216020039
中图分类号
O414.1 [热力学];
学科分类号
摘要
Molecular beam mass spectrometry was used to measure mole fraction profiles of the reactants, major reaction products and intermediates, including precursors of polycyclic aromatic hydrocarbons, in a premixed fuel-rich (equivalence ratio of 1.75) n-heptane/toluene/O-2/Ar flame stabilized on a flat burner at atmospheric pressure. The ratio of the liquid volumes in the n-heptane/toluene mixture was 7: 3. The chemical structure of the flame was modeled using a detailed mechanism of chemical reactions tested against experimental data of other authors on n-heptane/toluene flames and comprising the reactions of formation of polycyclic aromatic hydrocarbons. The mechanism was extended with cross-reactions involving derivatives of n-heptane and toluene. Overall, the new experimental data are in satisfactory agreement with the numerical simulation results; however, there are differences between the measured and calculated mole fraction profiles of some species. Analysis shows that in the n-heptane/toluene flame, the main reactions leading to the formation of low-aromatic compounds (benzene and phenyl) are reactions typical of the pure toluene flame.
引用
收藏
页码:142 / 154
页数:13
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