Kinetic study of <i>n</i>‐heptane oxidation

Chakir, A.; Bellimam, Moulay Ahmed; Boettner, Jean-Claude; Cathonnet, M.

doi:10.1002/kin.550240407

Cited by 106 publications

(47 citation statements)

References 18 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The oxidation of n-heptane was previously studied in engines [1][2][3][4][5] and in several types of laboratory reactors such as shock tubes [6][7][8][9][10][11], rapid compression machines [12,13], jetstirred reactors [14][15][16], flow reactors [17], and flames [18][19][20][21][22]. Most of these studies were carried out under conditions of high temperature oxidation (temperature typically above 800 K) and relatively little attention was paid to the low-temperature oxidation of n-heptane, especially regarding the characterization of oxygenated reaction products [12,13,[15][16][17].…”

Section: Introductionmentioning

confidence: 99%

Experimental and modeling investigation of the low-temperature oxidation of n-heptane

Herbinet

Husson

Serinyel

et al. 2012

Combustion and Flame

177

240

View full text Add to dashboard Cite

The low-temperature oxidation of n-heptane, one of the reference species for the octane rating of gasoline, was investigated using a jet-stirred reactor and two methods of analysis: gas chromatography and synchrotron vacuum ultra-violet photo-ionization mass spectrometry (SVUV-PIMS) with direct sampling through a molecular jet. The second method allowed the identification of products, such as molecules with hydroperoxy functions, which are not stable enough to be detected using gas chromatography. Mole fractions of the reactants and reaction products were measured as a function of temperature (500-1100K), at a residence time of 2s, at a pressure of 800 torr (1.06 bar) and at stoichiometric conditions. The fuel was diluted in an inert gas (fuel inlet mole fraction of 0.005). Attention was paid to the formation of reaction products involved in the low temperature oxidation of n-heptane, such as olefins, cyclic ethers, aldehydes, ketones, species with two carbonyl groups (diones) and ketohydroperoxides. Diones and ketohydroperoxides are important intermediates in the low temperature oxidation of n-alkanes but their formation have rarely been reported. Significant amounts of organic acids (acetic and propanoic acids) were also observed at low temperature. The comparison of experimental data and profiles computed using an automatically generated detailed kinetic model is overall satisfactory. A route for the formation of acetic and propanoic acids was proposed. Quantum calculations were performed to refine the consumption routes of ketohydroperoxides towards diones.

show abstract

Section: Introductionmentioning

confidence: 99%

Experimental and modeling investigation of the low-temperature oxidation of n-heptane

Herbinet

Husson

Serinyel

et al. 2012

Combustion and Flame

177

240

View full text Add to dashboard Cite

show abstract

“…Heptane is a component of commercial gasoline and one of the primary reference fuels for the determination of gasoline octane number. The oxidation of n-heptane has been investigated in shock tubes [1,2], jet-stirred reactors [3,4], premixedflame results of Westmoreland et al [5]. The maximum soot volume fraction reported was f v ϭ 3.3 ϫ 10 Ϫ7 .…”

Section: Introductionmentioning

confidence: 99%

Effects of equivalence ratio on species and soot concentrations in premixed n-heptane flames

İnal

Şenkan

2002

Combustion and Flame

102

View full text Add to dashboard Cite

The micro-structure of laminar premixed, atmospheric-pressure, fuel-rich flames of n-heptane/oxygen/argon has been studied at two equivalence ratios (C/O ϭ 0.63 and C/O ϭ 0.67). A heated quartz microprobe coupled to an online gas chromatography/mass spectrometry (HP 5890 Series II/HP 5972) has been used to establish the identities and absolute concentrations of stable major, minor, and trace species by the direct analysis of samples withdrawn from the flames. Benzene was the most abundant aromatic compound identified. The largest PAH detected were the family of C 18 H 10 (molecular weight of 226) that include cyclopenta[cd]pyrene and benzo[ghi]fluoranthene, with peak concentrations reaching 8 ppm and 6 ppm, respectively. Soot particle diameters, number densities, and volume fractions were determined using classical light scattering and extinction measurements. The largest soot particle diameter measured was about 18 nm and the soot volume fraction reached the amount of 4.9 ϫ 10 Ϫ7.

show abstract

“…Though the modeling of the combustion of different fuel components (hydrocarbons, alcohols, ethers, etc.) and the description of the corresponding mechanisms in reactors are described in the literature, [21][22][23][24][25][26][27] their validation in running engines has yet to be completed. This paper deals with the topic of qualitative and quantitative correlations between fuel formulation and individual hydrocarbon emissions obtained in a Cooperating Fuel Research (CFR) spark ignition engine.…”

Section: Introductionmentioning

confidence: 99%

The Influence of Gasoline Formulation on Specific Pollutant Emissions

Zervas

Montagne

Lahaye

1999

Journal of the Air & Waste Management Association

View full text Add to dashboard Cite

Many recent works have dealt with the influence of fuel composition on regulated and specific pollutant emissions from spark ignition engines. While many qualitative correlations have been already proposed, only a few quantitative ones are known (benzene remains an exception).This paper describes qualitative and quantitative correlations between fuel composition and specific pollutant emissions (individual hydrocarbons, aldehydes, ketones, alcohols, and organic acids) of a spark ignition engine. The aim of this work was to find the precursors of the main specific pollutants. Then, for each of them, a multilinear equation has been calculated, illustrating the correlation between its concentration in exhaust gases and its content in the fuel. The results of these calculations point out which initial compound favors the formation of a determined pollutant. As lean conditions are probably going to be used in future commercial engines, the fuel effect has been studied for a broad range of equivalence ratios (from 0.8 to 1.2).Two fuel matrixes were designed. The first one was obtained by introducing eight pure hydrocarbons (nC 6 , nC 8 , isoC 8 , 1-hexene, cyclohexane, toluene, o-xylene, and IMPLICATIONSThe topic of this paper strongly interests both refiners and car manufacturers. Besides being of scientific interest, knowing precisely which compound induces which pollutant, could enable refiners to determine which gasoline formulations provide better control of pollutant emissions, especially toxic compounds and ozone precursors. Car manufacturers could use this information to optimize engine tunings and catalyst use to reduce those emissions. Further, these works are of scientific interest, helping to improve understanding of the possible impact of regulation changes on pollutant emissions, helping refiners to improve fuel formulations, and helping all parties concerned by helping to improve air quality. ethylbenzene) in an alkylate base. The second one was formulated to test the behavior of four oxygenated compounds (methanol, ethanol, isopropanol, and methyl tertio-butyl ether [MTBE]).Individual unburned hydrocarbons, aldehydes, alcohols, and organic acids were analyzed according to accurate methods developed in our laboratory.Results show that benzene exhaust is mainly emitted from benzene fuel, the substituted aromatics, and, to a lesser degree, from cyclohexane; 1,3-butadiene is produced from 1-hexene or cyclohexane; and isobutene is a product of isooctane and MTBE. Exhaust toluene comes mainly from toluene fuel, but also from o-xylene and ethylbenzene fuels. Isopropylbenzene exhaust seems to be produced only from ethylbenzene fuel. Exhaust concentrations of acetaldehyde and acetone showed a strong correlation with, respectively, ethanol and isopropanol fuel contents. Methacroleine exhaust concentration was strongly correlated with the fuel's isooctane content. Benzaldehyde was produced by the aromatic fuels. Methanol was found in the exhaust gases of all the oxygenated fuels. High quantities of hexane...

show abstract

Kinetic study of n‐heptane oxidation

Cited by 106 publications

References 18 publications

Experimental and modeling investigation of the low-temperature oxidation of n-heptane

Experimental and modeling investigation of the low-temperature oxidation of n-heptane

Effects of equivalence ratio on species and soot concentrations in premixed n-heptane flames

The Influence of Gasoline Formulation on Specific Pollutant Emissions

Contact Info

Product

Resources

About