Summary table of evaluated kinetic data for combustion modeling: Supplement 1

Baulch, D. L.; Cobos, Carlos; Cox, R. A.; Frank, Peter; Hayman, Garry; Just, Th.; Kerr, J. A.; Murrells, Timothy P.; Pilling, Michael J.; Troe, J.; Walker, Raymond W.; Warnatz, Jürgen

doi:10.1016/0010-2180(94)90198-8

Cited by 292 publications

(208 citation statements)

References 3 publications

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“…However, this reaction as been studied in great detail, and it seems unlikely that an error in its rate could account for the over prediction of methyl by the model in the rich flame. [41] Since fuel rich flames will certainly produce more methyl, it is most likely that the discrepancy between the model and experiment is due to additional loss, unaccounted for channels that are specific to rich.…”

Section: Co+ Oh+ C02+hmentioning

confidence: 99%

A laser and molecular beam mass spectrometer study of low-pressure dimethyl ether flames

McIlroy

Hain

Michelsen

et al. 2000

Proceedings of the Combustion Institute

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Section: Co+ Oh+ C02+hmentioning

confidence: 99%

A laser and molecular beam mass spectrometer study of low-pressure dimethyl ether flames

McIlroy

Hain

Michelsen

et al. 2000

Proceedings of the Combustion Institute

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“…This C 0 -C 2 reaction base includes all the unimolecular or bimolecular reactions involving radicals or molecules including carbon, hydrogen and oxygen atoms and containing less than three carbon atoms. The kinetic data used in this base were taken from the literature and are mainly those proposed by Baulch et al [22] and Tsang et al [23]. The C 0 -C 2 reaction base was first presented in the paper of Barbé et al [21] and has been later up-dated [15].…”

Section: Description Of the Proposed Mechanismmentioning

confidence: 99%

Rich methane premixed laminar flames doped by light unsaturated hydrocarbons

Gueniche

Glaude

Fournet

et al. 2008

Combustion and Flame

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In line with the studies presented in the parts I and II of this paper, the structure of a laminar rich premixed methane flame doped with cyclopentene has been investigated. The gases of this flame contains 15.3% (molar) of methane, 26.7% of oxygen and 2.4% cyclopentene corresponding to an equivalence ratio of 1.79 and a ratio C 5 H 8 / CH 4 of 16 %. The flame has been stabilized on a burner at a pressure of 6.7 kPa using argon as dilutant, with a gas velocity at the burner of 36 cm/s at 333 K. The temperature ranged from 627 K close to the burner up to 2027 K. Quantified species included usual methane C 0 -C 2 combustion products, but also propyne, allene, propene, propane, 1-butene, 1,3-butadiene, 1,2-butadiene, vinylacetylene, diacetylene, cyclopentadiene, 1,3-pentadiene, benzene and toluene. A new mechanism for the oxidation of cyclopentene has been proposed. The main reaction pathways of consumption of cyclopentene and of formation of benzene and toluene have been derived from flow rate analyses.

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“…This C 0 -C 2 reaction base includes all the unimolecular or bimolecular reactions involving radicals or molecules including carbon, hydrogen and oxygen atoms and containing less than three carbon atoms. The kinetic data used in this base were taken from the literature and are mainly those proposed by Baulch et al [19] and Tsang et al [20]. The C 0 -C 2 reaction base was first presented in the paper of Barbé et al [18] and has been up-dated [8].…”

Section: Reaction Base For the Oxidation Of C 3 -C 4 Unsaturated Hydrmentioning

confidence: 99%

“…The main addition to the reactions of allene was to consider the reactions of abstraction of a hydrogen atom by H atoms and OH, CH 3 , C 2 H, C 2 H 3 , C 2 H 5 and a-C 3 H 5 radicals (reactions [15][16][17][18][19][20][21][22]. These reactions, involving the abstraction of vinylic H-atoms, had been neglected in our previous work in shock tube conditions [8], but were found important here to correctly reproduce the profile of allene in the flame doped with this compound.…”

Section: Table Imentioning

confidence: 99%

Rich methane premixed laminar flames doped with light unsaturated hydrocarbonsI. Allene and propyne

Gueniche

Glaude

Dayma

et al. 2006

Combustion and Flame

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The structure of three laminar premixed rich flames have been investigated: a pure methane flame and two methane flames doped by allene and propyne, respectively. The gases of the three flames contain 20.9% (molar) of methane and 33.4 % of oxygen corresponding to an equivalent ratio of 1.25 for the pure methane flame. In both doped flames, 2.49 % of C 3 H 4 was added, corresponding to a ratio C 3 H 4 / CH 4 of 12 % and an equivalent ratio of 1.55. The three flames have been stabilized on a burner at a pressure of 6.7 kPa using argon as dilutant, with a gas velocity at the burner of 36 cm/s at 333 K. The concentration profiles of stable species were measured by gas chromatography after sampling with a quartz microprobe. Quantified species included carbon monoxide and dioxide, methane, oxygen, hydrogen, ethane, ethylene, acetylene, propyne, allene, propene, propane, 1,2-butadiene, 1,3-butadiene, 1-butene, iso-butene, 1-butyne, vinylacetylene and benzene. The temperature was measured using a thermocouple in PtRh (6%)-PtRh (30%) settled inside the enclosure and ranged from 700K close to the burner up to 1850K. In order to model these new results, some improvements have been made to a mechanism previously developed in our laboratory for the reactions of C 3 -C 4 unsaturated hydrocarbons. The main reaction pathways of consumption of allene and propyne and of formation of C 6 aromatic species have been derived from flow rate analyses.Keywords : Premixed laminar flame, methane, allene, propyne, modeling. 3 INTRODUCTIONSoots and polyaromatic hydrocarbons (PAH), which are present in the exhaust gas of diesel engine, represent a high part of the urban pollution. Many efforts have then been focused on reducing the emissions of these compounds. The formation of soot precursors and PAH in combustion involves small unsaturated hydrocarbons, the chemistry of which is still very uncertain. Different reaction pathways have been proposed for the formation and the oxidation of the first aromatic compounds, involving the reactions of C 2 (acetylene), C 3 or C 4 unsaturated species [1][2][3][4][5].As the determinant role of propargyl radicals in forming benzene, the first aromatic ring, is now well accepted, it is important to better understand their reactions. With that purpose, the oxidation of allene (propadiene) and propyne has been already studied in several oxidation conditions: shock tubes [6][7][8], flow reactor [9,10], jet-stirred reactor [7,11] and premixed flames [10,11]. Previous works in flames include studies of the influence of the addition of allene on The purpose of the present paper is to experimentally investigate the structures of two premixed laminar methane flames containing propadiene and propyne, respectively, and to compare them with that of a pure methane flame containing the same mole fractions of methane and oxygen. The use of a methane flame will allow us to have a reactive mixture rich in methyl radicals and to be more representative of combustion mixtures containing larger hydrocarbons than hydrogen or ...

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Summary table of evaluated kinetic data for combustion modeling: Supplement 1

Cited by 292 publications

References 3 publications

A laser and molecular beam mass spectrometer study of low-pressure dimethyl ether flames

A laser and molecular beam mass spectrometer study of low-pressure dimethyl ether flames

Rich methane premixed laminar flames doped by light unsaturated hydrocarbons

Rich methane premixed laminar flames doped with light unsaturated hydrocarbonsI. Allene and propyne

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