Development of an Experimental Database and Kinetic Models for Surrogate Diesel Fuels

Farrell, John T.; Cernansky, Nicholas P.; Dryer, F. L.; Law, Chung K.; Friend, Daniel G.; Hergart, Carl-Anders; McDavid, Robert M.; Patel, Amar; Mueller, Charles J.; Pitsch, Heinz

doi:10.4271/2007-01-0201

Cited by 319 publications

(240 citation statements)

References 160 publications

(159 reference statements)

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“…n-Heptane is one of the two primary reference fuels which are used for the octane rating for gasolines with an octane number of 0 [33]. This species is also a possible surrogate for the n-alkanes present in diesel fuels [34].…”

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

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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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

169

240

View full text Add to dashboard Cite

show abstract

“…The evolution of oil industry is pushing towards new kinds of fuels whose compositions are more and more different from conventional fuels. New kind of feedstock and the spreading of biofuels are shaping a new generation of fuel requiring the development of sophisticated kinetics models to account for more varied compositions [4][5].…”

Section: Introductionmentioning

confidence: 99%

Autoignition behavior of unsaturated hydrocarbons in the low and high temperature regions

Mehl

Pitz

Westbrook

et al. 2011

Proceedings of the Combustion Institute

125

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“…Development of detailed chemical kinetic reaction mechanisms using the same reaction pathway and rate classes have provided kinetic tools for ignition and combustion studies of many other fuels [4][5][6][7][8][9][10][11][12] to study the role of fuel molecular structure on hydrocarbon ignition, and they provided a starting point to development of more general surrogate fuels for gasoline in SI engines [13] and diesel fuel in diesel engines [14].…”

mentioning

confidence: 99%

Detailed chemical kinetic reaction mechanisms for primary reference fuels for diesel cetane number and spark-ignition octane number

Westbrook

Pitz

Mehl

et al. 2011

Proceedings of the Combustion Institute

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Development of an Experimental Database and Kinetic Models for Surrogate Diesel Fuels

Cited by 319 publications

References 160 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

Autoignition behavior of unsaturated hydrocarbons in the low and high temperature regions

Detailed chemical kinetic reaction mechanisms for primary reference fuels for diesel cetane number and spark-ignition octane number

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