Propene pyrolysis and oxidation kinetics in a flow reactor and laminar flames

Davis, Scott; Law, Chung K.; Wang, Shuangfeng

doi:10.1016/s0010-2180(99)00070-x

Cited by 195 publications

(165 citation statements)

References 46 publications

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“…The methane mechanism was DRM19 [18], with 19 species and 84 fundamental reactions. The propane mechanism was that of [19], with 71 species and 469 fundamental reactions.…”

Section: Computational Methodologymentioning

confidence: 99%

Lewis number effects in distributed flames

Aspden

Day

Bell

2011

Proceedings of the Combustion Institute

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Recent computational studies have simulated a mode of distributed premixed combustion where turbulent mixing plays a significant role in the transport of mass and heat near the reaction zone. Under these conditions, molecular transport processes play a correspondingly smaller role. A consequence of burning in this regime is that a change in the gas mixture composition can occur within the flame zone, which modifies the burning rate. The composition depends on the Lewis number (ratio of molecular heat to mass diffusivity), and so the response to the transition to distributed burning will be different for fuels with different Lewis numbers. In this paper, we examine the role of Lewis number on flames in the distributed burning regime. We use high-resolution three-dimensional flame simulations with detailed transport models to explore the turbulent combustion of a range of fuels, specifically lean premixed hydrogen, methane and propane mixtures. The response of the burning rate is found to be more pronounced in hydrogen than in the other fuels.

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“…The methane mechanism was DRM19 [18], with 19 species and 84 fundamental reactions. The propane mechanism was that of [19], with 71 species and 469 fundamental reactions.…”

Section: Computational Methodologymentioning

confidence: 99%

Lewis number effects in distributed flames

Aspden

Day

Bell

2011

Proceedings of the Combustion Institute

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“…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.…”

Section: Introductionmentioning

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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“…The chemistry of some important unsaturated species including 1,3-butadiene, propene, and allene have also been updated, adopting the work of Laskin et al [18], which is primarily based on the earlier studies of Davis et al [19]. …”

Section: Chemical Kinetic Model and Calculationsmentioning

confidence: 99%