The oxidation of a gasoline surrogate in the negative temperature coefficient region

Lenhert, David B.; Miller, David L.; Cernansky, Nicholas P.; Owens, Kevin G.

doi:10.1016/j.combustflame.2008.11.022

Cited by 79 publications

(55 citation statements)

References 22 publications

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“…The mechanism was validated over a wide range of conditions including both 7 low and high-temperature ranges. Good agreement was observed between simulations and experimental 8 data from the literature for ignition delay time measurements [5,42,45], species profiles measurements 9 taken in a jet-stirred reactor [14][15][16] and in a flow reactor [20], as well as laminar flame speeds [26]. 10…”

Section: Introductionmentioning

confidence: 58%

An updated experimental and kinetic modeling study of n-heptane oxidation

Zhang

Banyon

Bugler

et al. 2016

Combustion and Flame

311

243

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Section: Introductionmentioning

confidence: 58%

An updated experimental and kinetic modeling study of n-heptane oxidation

Zhang

Banyon

Bugler

et al. 2016

Combustion and Flame

311

243

View full text Add to dashboard Cite

“…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%

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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

169

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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“…However, 4-component surrogates involving TRF/1-pentene and TRF/2-pentene have also been formulated and investigated by e.g. [14][15][16], as well as complex multicomponent surrogates for various non-oxygenated gasolines [17,18]. The reasonable extent of agreement between TRF and gasoline, in addition to the availability of well validated chemical mechanisms of its oxidation pathways, makes it currently a more feasible surrogate for gasoline in terms of ignition delay modelling compared to more complex surrogates [19] and blending effects, and hence it is used in this work.…”

Section: Surrogate Formulationmentioning

confidence: 99%

The influence of n -butanol blending on the ignition delay times of gasoline and its surrogate at high pressures

Agbro

Tomlin

Lawes

et al. 2017

Fuel

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The influence of blending n-butanol at 20% by volume on the ignition delay times for a reference gasoline was studied in a rapid compression machine (RCM) for stoichiometric fuel/air mixtures at 20 bar and 678 K-858 K. Delay times for the blend lay between those of stoichiometric gasoline and stoichiometric n-butanol across the temperature range studied. At lower temperatures, delays for the blend were however, much closer to those of n-butanol than gasoline despite n-butanol being only 20% of the mixture. Under these conditions n-butanol acted as an octane enhancer over and above what might be expected from a simple linear blending law. The ability of a gasoline surrogate, based on a toluene reference fuel (TRF), to capture the main trends of the gasoline/ n-butanol blending behaviour was also tested within the RCM. The 3-component TRF based on a mixture of toluene, n-heptane and iso-octane was able to capture the trends well across the temperature range studied. Simulations of ignition delay times were also performed using a detailed blended nbutanol/TRF mechanism based on the adiabatic core assumption and volume histories from the experimental data. Overall, the model captured the main features of the blending behaviour, although at the lowest temperatures, predicted ignition delays for stoichiometric n-butanol were longer than those observed. A bruteforce local sensitivity analysis was performed to evaluate the main chemical processes driving the ignition behaviour of the TRF, n-butanol and blended fuels. The reactions of fuel + OH dominated the sensitivities at lower temperatures, with H abstraction from nn-butanol and the blend. At higher temperatures the decomposition of H 2 O 2 and reactions of HO 2 and that of formaldehyde with OH became critical, in common with the ignition behaviour of other fuels. Remaining uncertainties in the rates of these key reactions are discussed.

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The oxidation of a gasoline surrogate in the negative temperature coefficient region

Cited by 79 publications

References 22 publications

An updated experimental and kinetic modeling study of n-heptane oxidation

An updated experimental and kinetic modeling study of n-heptane oxidation

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

The influence of n -butanol blending on the ignition delay times of gasoline and its surrogate at high pressures

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