Experimental study of the oxidation of n-heptane in a jet stirred reactor from low to high temperature and pressures up to 40 atm

Dagaut, Philippe; Reuillon, M.; Cathonnet, M.

doi:10.1016/0010-2180(94)00184-t

Cited by 156 publications

(155 citation statements)

References 4 publications

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“…Note that the formation of heptanal was not observed in this study whereas it was in the study by Dagaut et al [16]. They also observed the formation of other cyclic ethers such as 2-methyl-tetrahydropyran, 2-butyl-oxirane, and 2-ethyl-tetrahydrofuran.…”

Section: Analyses Using Gas Chromatography (Nancy)contrasting

confidence: 63%

“…Dagaut et al also verified that the macro-mixing was good and that the temperature of the gas phase was homogeneous using a thermocouple [43]. Since then this reactor has often been used for numerous gas phase kinetic studies of hydrocarbons and oxygenated compounds oxidation [16,[44][45][46].…”

Section: Experimental Methodsmentioning

confidence: 95%

“…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%

“…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]. Low-temperature oxidation of hydrocarbons is of importance for the development of diesel and homogenous charge compression ignition (HCCI) engines as this particular chemistry triggers auto-ignition phenomenon [35], it is also responsible for other combustion phenomena such as cool flames and negative temperature coefficient (NTC).…”

Section: Introductionmentioning

confidence: 99%

“…Dagaut et al [16] performed an experimental study of the oxidation of nheptane in a jet-stirred reactor at temperatures ranging from 550 to 1150 K, at pressures from 1 to 40 atm, at residence times from 0.1 to 2 s and under stoichiometric conditions with highly diluted mixtures in nitrogen (inlet fuel mole fraction between 0.005 and 0.01). The fuel mole fraction profiles exhibited a negative temperature coefficient (NTC) behavior, except at high pressure (40 atm) where it tended to disappear.…”

Section: Introductionmentioning

confidence: 99%

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

Herbinet

Husson

Serinyel

et al. 2012

Combustion and Flame

174

240

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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.

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Section: Analyses Using Gas Chromatography (Nancy)contrasting

confidence: 63%

Section: Experimental Methodsmentioning

confidence: 95%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 3 more Smart Citations

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

Herbinet

Husson

Serinyel

et al. 2012

Combustion and Flame

174

240

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Cool Flames

Kolaitis

Founti

2010

Handbook of Combustion

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The sections in this article are Introduction Theory Phenomenology Negative Temperature Coefficient ( NTC ) Stabilized Cool Flames Chemical Kinetics Applications Liquid Fuel Evaporation for Premixed Combustion Liquid Fuel Reforming for Fuel Cell Applications Internal Combustion Engines Knocking Low‐Temperature Combustion and HCCI Engines Lean Premixed Prevaporized Combustion in Gas Turbines Industrial Safety Numerical Modeling of Stabilized Cool Flame Reactors One‐Dimensional Chemical Kinetics Simulation of a Linear Flow SCF Reactor Two‐Dimensional Two‐Phase CFD Simulation of a Linear Flow SCF Reactor Three‐Dimensional Two‐Phase CFD Simulation of a Recirculating Flow SCF Reactor Outlook Summary

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HCCICombustion Chemistry, Reduced Kinetic Mechanisms and Controlling Strategies

Machrafi

2010

Handbook of Combustion

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The sections in this article are Introduction Present Situation HCCI Engines, A New Alternative HCCI Combustion Definition Problem of Implementing the HCCI Method Chemical Kinetics in HCCI Combustion Chemical Combustion Mechanism of Iso‐Octane Low‐Temperature Interval Intermediate‐Temperature Interval High‐Temperature Interval Chemical Combustion Mechanism of Iso‐octane Chemical Combustion Mechanism of Toluene Initiation Reactions Benzene Sub‐Mechanism Resume of the Auto‐Ignition Process Kinetic Mechanisms for the Study of HCCI Combustion General Discussion about the Cool Flame Phenomenon Reduced Kinetic Mechanisms Experimental Validation of a Reduced Kinetic Mechanism Controlling Strategies Control Methods Kinetic Mechanisms to Control the Auto‐Ignition Existing Applications of the HCCI Engine and its Future Conclusions

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Experimental study of the oxidation of n-heptane in a jet stirred reactor from low to high temperature and pressures up to 40 atm

Cited by 156 publications

References 4 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

Cool Flames

HCCICombustion Chemistry, Reduced Kinetic Mechanisms and Controlling Strategies

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