Multi-species time-history measurements during n-heptane oxidation behind reflected shock waves

Davidson, David F.; Hong, Zekai; Pilla, Guillaume; Farooq, Aamir; Cook, R.D.; Hanson, Ronald K.

doi:10.1016/j.combustflame.2010.01.004

Cited by 58 publications

(27 citation statements)

References 15 publications

(27 reference statements)

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“…As discussed previously for the mixtures of npropylbenzene / n-heptane this behavior at intermediate temperatures (around 900 K) is attributed to the chain branching sequence RH + HȮ 2 =Ṙ + H 2 O 2 followed by H 2 O 2 (+ M) =ȮH +ȮH (+ M), where RH is the fuel components.In the present experiments, the equivalence ratio is increased by increasing the fuel concentration ([RH]) which enhances the rate of this branching sequence that produces two reactiveȮH radicals[65]. This effect is also seen at30 and 50 atm, Figs. 8(c)-8(d).…”

supporting

confidence: 63%

An experimental and modeling study of surrogate mixtures of n-propyl- and n-butylbenzene in n-heptane to simulate n-decylbenzene ignition

Darcy

Nakamura

Tobin

et al. 2014

Combustion and Flame

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This paper presents experimental data for the oxidation of two surrogates for the large alkylbenzene class of compounds contained in diesel fuels, namely ndecylbenzene. A 57:43 molar % mixture of n-propylbenzene:n-heptane in air (≈21% O 2 , ≈79% N 2 ) was used in addition to a 64:36 molar % mixture of nbutylbenzene:36% n-heptane in air. These mixtures were designed to contain a similar carbon/hydrogen ratio, molecular weight and aromatic/alkane ratio when compared to n-decylbenzene. Nominal equivalence ratios of 0.3, 0.5, 1.0 and 2.0 were used. Ignition times were measured at 1 atm in the shock tube and at pressures of 10, 30 and 50 atm in both the shock tube and in the rapid compression machine. The temperature range studied was from approximately 650-1700 K.The effects of reflected shock pressure and equivalence ratio on ignition delay * address: time were determined and common trends highlighted. It was noted that both mixtures showed similar reactivity throughout the temperature range studied. A reaction mechanism published previously was used to simulate this data. Overall the reaction mechanism captures the experimental data reasonably successfully with a variation of approximately a factor of 2 for mixtures at 10 atm and fuel-rich and stoichiometric conditions.

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supporting

confidence: 63%

An experimental and modeling study of surrogate mixtures of n-propyl- and n-butylbenzene in n-heptane to simulate n-decylbenzene ignition

Darcy

Nakamura

Tobin

et al. 2014

Combustion and Flame

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“…The H 2 O profiles for typical hydrocarbons [18,19,31] exhibit sequential features: an initial gradual formation of H 2 O is followed by a rapid increase indicating ignition, which is in turn succeeded by a very slow rise in H 2 O concentration. During 3-pentanone oxidation, the H 2 O profiles are slightly different from those of common hydrocarbons (n-alkanes and cycloalkanes).…”

Section: -Pentanone Oxidationmentioning

confidence: 97%

“…Using a common-mode-rejection detection scheme, a minimum absorbance of 0.1% can be detected, which results in the current experiments in a minimum detection sensitivity of $0.2 ppm at 1400 K and 1.5 atm. Further details of the OH laser diagnostic setup are discussed elsewhere [16][17][18][19]. When the laser was tuned away from the narrow OH absorption line by approximately 4 cm À1 , interference absorption was found.…”

Section: Laser Absorption Measurementsmentioning

confidence: 99%

Shock tube measurements of 3-pentanone pyrolysis and oxidation

Lam

Ren

Hong

et al. 2012

Combustion and Flame

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“…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

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225

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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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Multi-species time-history measurements during n-heptane oxidation behind reflected shock waves

Cited by 58 publications

References 15 publications

An experimental and modeling study of surrogate mixtures of n-propyl- and n-butylbenzene in n-heptane to simulate n-decylbenzene ignition

An experimental and modeling study of surrogate mixtures of n-propyl- and n-butylbenzene in n-heptane to simulate n-decylbenzene ignition

Shock tube measurements of 3-pentanone pyrolysis and oxidation

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

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