Oxidation of commercial and surrogate bio-Diesel fuels (B30) in a jet-stirred reactor at elevated pressure: Experimental and modeling kinetic study

Ramirez, H.P.; Hadj-Ali, K.; Diévart, Pascal; Dayma, Guillaume; Togbé, Casimir; Moréac, Gladys; Dagaut, Philippe

doi:10.1016/j.proci.2010.05.096

Cited by 42 publications

(33 citation statements)

References 21 publications

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“…The model of Ramirez et al [29] has reproduced most of the reported experimental trends. However, the detection of more species such as alkyl peroxides and cyclic ethers is needed to provide a better insight into the important low-temperature chemistry pathways.…”

Section: Introductionmentioning

confidence: 53%

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An experimental and kinetic modeling study of n -hexane oxidation

Zhang

Banyon

Togbé

et al. 2015

Combustion and Flame

133

102

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Section: Introductionmentioning

confidence: 53%

“…S4-S9. The comparisons of the current mechanism and previously reported mechanisms for n-hexane [17,29] have also been included as Fig. S10-S13.…”

Section: Jet Stirred Reactormentioning

confidence: 99%

An experimental and kinetic modeling study of n -hexane oxidation

Zhang

Banyon

Togbé

et al. 2015

Combustion and Flame

133

102

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“…Thus, the mechanism for n ‐decane (LLNL_nC10) involves 940 chemical species in 3878 elementary reversible reactions, whereas n ‐hexadecane mechanism (LLNL_nC16) includes 8130 reactions and 2116 species . The Orléans detailed kinetics of biodiesel fuels is of similar sizes . JetSurF is an oxidation mechanism specifically developed for aviation fuels up to n‐ dodecane and heavy alkylcycloalkanes limited to the high‐temperature conditions; for this reason, it refers to less than 350 species .…”

Section: Complexity Of the Kinetic Mechanisms: Lumping Procedures Andmentioning

confidence: 99%

Reduced Kinetic Schemes of Complex Reaction Systems: Fossil and Biomass‐Derived Transportation Fuels

Ranzi

Frassoldati

Stagni

et al. 2014

Int J of Chemical Kinetics

493

246

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The kinetic modeling of the pyrolysis and combustion of liquid transportation fuels is a very complex task for two different reasons: the challenging characterization of the complex mixture of several hydrocarbon isomers and the complexity of the oxidation mechanisms of large hydrocarbon and oxygenated molecules. While surrogate mixtures of reference components allow to tackle the first difficulty, the complex behavior of the oxidation mechanisms is mostly overcome by reducing the total number of involved species by adopting a lumping approach. After a first investigation of the different liquid fuels (gasoline, kerosene, and diesel fuels), a short discussion on the lumping techniques allows to highlight the advantages of this approach. The lumped POLIMI pyrolysis and oxidation mechanism of hydrocarbon and oxygenated fuels is then used for generating several skeletal mechanisms for typical surrogate mixtures, moving from pure n-heptane up to heavy diesel fuels. These skeletal models are simply reduced with a reaction flux analysis, and they involve between 100 and 200 species. While these sizes already allow detailed computational fluid dynamics (CFD) calculations in internal combustion engines, further reduction phases are necessary when the interest is toward more complex CFD computations. To maintain the standard structure of the skeletal mechanisms, successive reduction phases are not considered. Moreover, new regulations pushed toward a greater use of renewable fuels. For these reasons, the skeletal models are also extended to biogasolines including methanol, ethanol, and n-butanol. Similarly, skeletal models of diesel and biodiesel fuels, including methyl esters, are also provided. Several comparisons with experimental data and complete validations in the operating range of internal combustion engines are also reported. The whole set of comparisons with experimental data obtained in a wide range of conditions not only validate the reduced models of specific transportation fuels but also the complete kinetic scheme POLIMI 1404

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“…These studies have examined ignition and combustion of alkyl esters from methyl and ethyl hexanoate and methyl and ethyl heptanoate to methyl decanoate [24][25][26][27][28][29][30][31][32][33], followed closely by extensions to methyl stearate and rapeseed methyl ester [34][35][36][37].…”

Section: Previous Studiesmentioning

confidence: 99%

Detailed chemical kinetic reaction mechanisms for soy and rapeseed biodiesel fuels

Westbrook

Naik²,

Herbinet³

et al. 2011

Combustion and Flame

240

184

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A detailed chemical kinetic reaction mechanism is developed for the five major components of soy biodiesel and rapeseed biodiesel fuels. These components, methyl stearate, methyl oleate, methyl linoleate, methyl linolenate, and methyl palmitate, are large methyl ester molecules, some with carbon-carbon double bonds, and kinetic mechanisms for them as a family of fuels have not previously been available. Of particular importance in these mechanisms are models for alkylperoxy radical isomerization reactions in which a C=C double bond is embedded in the transition state ring. The resulting kinetic model is validated through comparisons between predicted results and a relatively small experimental literature. The model is also used in simulations of biodiesel oxidation in jet-stirred reactor and intermediate shock tube ignition and oxidation conditions to demonstrate the capabilities and limitations of these mechanisms.Differences in combustion properties between the two biodiesel fuels, derived from soy and rapeseed oils, are traced to the differences in the relative amounts of the same five methyl ester components. † Lawrence

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Oxidation of commercial and surrogate bio-Diesel fuels (B30) in a jet-stirred reactor at elevated pressure: Experimental and modeling kinetic study

Cited by 42 publications

References 21 publications

An experimental and kinetic modeling study of n -hexane oxidation

An experimental and kinetic modeling study of n -hexane oxidation

Reduced Kinetic Schemes of Complex Reaction Systems: Fossil and Biomass‐Derived Transportation Fuels

Detailed chemical kinetic reaction mechanisms for soy and rapeseed biodiesel fuels

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