Structure of an n-heptane/toluene flame

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Structure of an n-heptane/toluene flame : Molecular beam mass spectrometry and computer simulation investigations. / Knyazkov, D. A.; Slavinskaya, N. A.; Dmitriev, A. M. et al.

In: Combustion, Explosion and Shock Waves, Vol. 52, No. 2, 3, 01.03.2016, p. 142-154.

Research output: Contribution to journal › Article › peer-review

BibTeX

@article{4415f633efb44c1689369cfa4c3de123,

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

abstract = "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.",

keywords = "detailed reaction mechanism, molecular beam mass spectrometry, n-heptane, soot precursor formation, toluene",

author = "Knyazkov, {D. A.} and Slavinskaya, {N. A.} and Dmitriev, {A. M.} and Shmakov, {A. G.} and Korobeinichev, {O. P.} and U. Riedel",

year = "2016",

month = mar,

day = "1",

doi = "10.1134/S0010508216020039",

language = "English",

volume = "52",

pages = "142--154",

journal = "Combustion, Explosion and Shock Waves",

issn = "0010-5082",

publisher = "Springer New York",

number = "2",

}

RIS

TY - JOUR

T1 - Structure of an n-heptane/toluene flame

T2 - Molecular beam mass spectrometry and computer simulation investigations

AU - Knyazkov, D. A.

AU - Slavinskaya, N. A.

AU - Dmitriev, A. M.

AU - Shmakov, A. G.

AU - Korobeinichev, O. P.

AU - Riedel, U.

PY - 2016/3/1

Y1 - 2016/3/1

N2 - 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.

AB - 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.

KW - detailed reaction mechanism

KW - molecular beam mass spectrometry

KW - n-heptane

KW - soot precursor formation

KW - toluene

UR - http://www.scopus.com/inward/record.url?scp=84973888887&partnerID=8YFLogxK

UR - https://elibrary.ru/item.asp?id=27117828

U2 - 10.1134/S0010508216020039

DO - 10.1134/S0010508216020039

M3 - Article

AN - SCOPUS:84973888887

VL - 52

SP - 142

EP - 154

JO - Combustion, Explosion and Shock Waves

JF - Combustion, Explosion and Shock Waves

SN - 0010-5082

IS - 2

M1 - 3

ER -

ID: 28381256

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

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