Structure of Premixed n-Heptane/Oxygen/Argon Flames at 2–6 atm: A Mass Spectrometric and Numerical Study

Structure of Premixed n-Heptane/Oxygen/Argon Flames at 2–6 atm: A Mass Spectrometric and Numerical Study Научная публикация

Журнал

Kinetics and Catalysis
ISSN: 0023-1584 , E-ISSN: 1608-3210

Вых. Данные

Год: 2025, Том: 66, Номер: 1, Страницы: 1-14 Страниц : 14 DOI: 10.1134/s0023158424602444

Авторы

Knyazkov D.A. ^1,2 , Shmakov A.G. ^1,2 , Osipova K.N. ¹ , Dmitriev A.M. ^1,3 , Bolshova T.A. ¹

Организации

1	Voevodsky Institute of Chemical Kinetics and Combustion, Siberian Branch, Russian Academy of Sciences, Novosibirsk, Russia
2	Kutateladze Institute of Thermophysics, Siberian Branch, Russian Academy of Sciences, Novosibirsk, Russia
3	Novosibirsk State University, Novosibirsk, Russia

n-Heptane is an important component of liquid motor fuels, which is included in the composition of reference fuel mixtures for determining the octane number of gasoline, and it is also the most important component of surrogate fuels. Despite a large number of experimental and numerical studies on the kinetics of its oxidation and combustion, there are very few data on the composition of intermediate products of its combustion at elevated pressures. In this work, we used flame-sampling molecular-beam mass spectrometry (MBMS) to study the chemical structure of flames of premixed stoichiometric (ϕ = 1.0) and rich (ϕ = 1.5) n-heptane/O2/Ar mixtures stabilized on a flat-flame burner at pressures of 2, 4 and 6 atm. The mole fraction profiles of key intermediate products of n-heptane combustion, including atoms and radicals, and acetylene and propargyl as precursors of polycyclic aromatic hydrocarbons (PAHs) were measured. Numerical simulation of the flame structure were performed using various detailed chemical-kinetic mechanisms of heavy hydrocarbon combustion proposed in the literature. It was found that the models adequately described the experimentally observed changes in the composition of combustion products both with increasing pressure and with increasing fuel equivalence ratio. Although experiments in rich flames showed a complete absence of acetylene in the final combustion products, all models predicted a high acetylene content, which indicated the need for further study of the kinetics of C2H2 conversion in combustion of rich mixtures.

Knyazkov D.A. , Shmakov A.G. , Osipova K.N. , Dmitriev A.M. , Bolshova T.A.
Structure of Premixed n-Heptane/Oxygen/Argon Flames at 2–6 atm: A Mass Spectrometric and Numerical Study
Kinetics and Catalysis. 2025. V.66. N1. P.1-14. DOI: 10.1134/s0023158424602444 WOS РИНЦ CAPlusCA

Поступила в редакцию:	18 окт. 2024 г.
Принята к публикации:	19 нояб. 2024 г.
Опубликована online:	5 июн. 2025 г.

Web of science:	WOS:001502103900002
РИНЦ:	82395806
Chemical Abstracts:	2025:1294943
Chemical Abstracts (print):	191:278523