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

D. A. Knyazkov, N. A. Slavinskaya, A. M. Dmitriev, A. G. Shmakov, O. P. Korobeinichev, U. Riedel

Результат исследования: Научные публикации в периодических изданияхстатьярецензирование

9 Цитирования (Scopus)

Аннотация

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/O2/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.

Язык оригиналаанглийский
Номер статьи3
Страницы (с-по)142-154
Число страниц13
ЖурналCombustion, Explosion and Shock Waves
Том52
Номер выпуска2
DOI
СостояниеОпубликовано - 1 мар 2016

Предметные области OECD FOS+WOS

  • 1.07 ПРОЧИЕ ЕСТЕСТВЕННЫЕ И ТОЧНЫЕ НАУКИ
  • 1.03 ФИЗИЧЕСКИЕ НАУКИ И АСТРОНОМИЯ
  • 1.04 ХИМИЧЕСКИЕ НАУКИ
  • 2.04 ХИМИЧЕСКИЕ ТЕХНОЛОГИИ

ГРНТИ

  • 31.15 Физическая химия

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