A jet-stirred reactor for kinetic studies of homogeneous gas-phase reactions at pressures up to ten atmospheres (≈1 MPa)

Dagaut, Philippe; Cathonnet, M.; Rouan, J. P.; Foulatier, R; Quilgars, A.; Boettner, Jean-Claude; Gaillard, Françoise; James, Henri

doi:10.1088/0022-3735/19/3/009

Cited by 264 publications

(182 citation statements)

References 3 publications

Supporting

Mentioning

166

Contrasting

Order By: Relevance

“…This ensures the homogeneity of the temperature in the gas phase [42]. A jet-stirred reactor working at pressures up to ten bars was also developed by Dagaut et al [43] by following the rules of Professor Villermaux [40,41]. 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].…”

Section: Experimental Methodsmentioning

confidence: 98%

“…A jet-stirred reactor working at pressures up to ten bars was also developed by Dagaut et al [43] by following the rules of Professor Villermaux [40,41]. 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: 99%

See 1 more Smart Citation

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

Herbinet

Husson

Serinyel

et al. 2012

Combustion and Flame

174

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: Experimental Methodsmentioning

confidence: 98%

Section: Experimental Methodsmentioning

confidence: 99%

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

Herbinet

Husson

Serinyel

et al. 2012

Combustion and Flame

174

240

View full text Add to dashboard Cite

show abstract

“…We used the JSR experimental setup utilized in previous studies [20,41]. It consisted of a small spherical fused-silica reactor (4 cm outside diameter) equipped with four nozzles of 1 mm inner diameter (ID) each.…”

Section: Jet Stirred Reactormentioning

confidence: 99%

A comprehensive combustion chemistry study of 2,5-dimethylhexane

Sarathy

Javed

Karsenty

et al. 2014

Combustion and Flame

View full text Add to dashboard Cite

Iso-paraffinic molecular structures larger than seven carbon atoms in chain length are commonly found in conventional petroleum, Fischer-Tropsch (FT), and other alternative hydrocarbon fuels, but little research has been done on their combustion behavior. Recent studies have focused on either mono-methylated alkanes and/or highly branched compounds (e.g., 2,2,4-trimethylpentane). In order to better understand the combustion characteristics of real fuels, this study presents new experimental data for the oxidation of 2,5-dimethylhexane under a wide variety of temperature, pressure, and equivalence ratio conditions. This new dataset includes jet stirred reactor speciation, shock tube ignition delay, and rapid compression machine ignition delay, which builds upon recently published data for counterflow flame ignition, extinction, and speciation profiles. The low and high temperature oxidation of 2,5-dimethylhexane has been modeled using a comprehensive chemical kinetic model developed using established reaction rate rules. The agreement between the model and data is presented, along with suggestions for improving model predictions. The importance of propene chemistry is highlighted as critical for correct prediction of high temperature ignition delay. The oxidation behavior of 2,5-dimethylhexane is also compared with oxidation behavior of other linear and branched octane isomers, in order to determine the effects of the number of methyl branches on combustion properties. Both experimental data and model predictions indicate that increasing the level of branching decreases fuel reactivity at low and intermediate temperatures. The model is used to elucidate the structural features and reaction pathways responsible for inhibiting the reactivity of 2,5-dimethylhexane. FUEL or CNF, Sarathy et al. submitted July 2013Introduction Detailed chemical kinetic models for transportation fuels have reached a level of fidelity where accurate predictions can be made of combustion phenomenon relevant to the operation of practical devices. Schofield [1] states that these large scale models are adequate as engineering tools for studying the combustion of new fuel molecules. A recent review paper by Pitz and Mueller [2] describing the development of diesel surrogate fuel models concluded that major research gaps remain in modeling high molecular weight (i.e., C 8 and greater) aromatics, alkyl aromatics, cyclo-alkanes, and lightly branched iso-alkanes. The present study is concerned with the combustion of branched alkanes, specifically 2,5-dimethylhexane, which has been reported as a component of petroleum combustion exhaust, smog, and tobacco smoke [3]. Branched alkanes are important components of conventional diesel and jet fuels derived from petroleum [2,4]; synthetic Fischer-Tropsch diesel and jet fuels derived from coal, natural gas, and/or biomass [5,6]; and renewable diesel and jet fuels derived from thermochemical treatment of bio-derived fats and oils (e.g., hydrotreated renewable jet (HRJ) fuels) [7,8]. Detailed com...

show abstract

“…Fuel enters the reactor together with nitrogen via an atomiser-vaporiser that is maintained at 200°C. A thermocouple (0.1 mm Pt-Pt/Rh 10%) monitors the temperature along the vertical axis of the reactor (Dayma et al 2011;Dagaut et al 1986).…”

Section: Measurement Of Oxidation Of Linseed Oilmentioning

confidence: 99%

Low temperature oxidation of linseed oil: a review

et al. 2012

View full text Add to dashboard Cite

This review analyses and summarises the previous investigations on the oxidation of linseed oil and the self-heating of cotton and other materials impregnated with the oil. It discusses the composition and chemical structure of linseed oil, including its drying properties. The review describes several experimental methods used to test the propensity of the oil to induce spontaneous heating and ignition of lignocellulosic materials soaked with the oil. It covers the thermal ignition of the lignocellulosic substrates impregnated with the oil and it critically evaluates the analytical methods applied to investigate the oxidation reactions of linseed oil. Initiation of radical chains by singlet oxygen ( 1 Δ g ), and their propagation underpin the mechanism of oxidation of linseed oil, leading to the self-heating and formation of volatile organic species and higher molecular weight compounds. The review also discusses the role of metal complexes of cobalt, iron and manganese in catalysing the oxidative drying of linseed oil, summarising some kinetic parameters such as the rate constants of the peroxidation reactions. With respect to fire safety, the classical theory of self-ignition does not account for radical and catalytic reactions and appears to offer limited insights into the autoignition of lignocellulosic materials soaked with linseed oil. New theoretical and numerical treatments of oxidation of such materials need to be developed. The self-ignition induced by linseed oil is predicated on the presence of both a metal catalyst and a lignocellulosic substrate, and the absence of any prior thermal treatment of the oil, which destroys both peroxy radicals and singlet O 2 sensitisers. An overview of peroxyl chemistry included in the article will be useful to those working in areas of fire science, paint drying, indoor air quality, biofuels and lipid oxidation.

show abstract

A jet-stirred reactor for kinetic studies of homogeneous gas-phase reactions at pressures up to ten atmospheres (≈1 MPa)

Cited by 264 publications

References 3 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

A comprehensive combustion chemistry study of 2,5-dimethylhexane

Low temperature oxidation of linseed oil: a review

Contact Info

Product

Resources

About