An experimental investigation of structural effects on the auto-ignition properties of two C5 esters

Walton, S.M.; Wooldridge, Margaret S.; Westbrook, Charles K.

doi:10.1016/j.proci.2008.06.208

Cited by 78 publications

(41 citation statements)

References 16 publications

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“…Combustion of small methyl and ethyl ester fuels has been studied for some time in spatially homogeneous studies in shock tubes, flow reactors, and rapid compression machines, and also in low pressure premixed laminar flames [13][14][15][16][17][18][19][20][21][22][23]. These studies provide a valuable basis for detailed kinetic reaction mechanisms to simulate the oxidation of the methyl ester moiety combined with a hydrocarbon group.…”

Section: Previous Studiesmentioning

confidence: 99%

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Detailed chemical kinetic reaction mechanisms for soy and rapeseed biodiesel fuels

Westbrook

Naik²,

Herbinet³

et al. 2011

Combustion and Flame

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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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Section: Previous Studiesmentioning

confidence: 99%

“…The thermochemical data file and the detailed chemical kinetic reaction mechanism are available on our web page at https://www-pls.llnl.gov/?url=science_and_technology-chemistry-combustion and this includes the species and bond location naming system being used. 20 …”

Section: Low Temperature Mechanismsmentioning

confidence: 99%

Detailed chemical kinetic reaction mechanisms for soy and rapeseed biodiesel fuels

Westbrook

Naik²,

Herbinet³

et al. 2011

Combustion and Flame

Self Cite

240

184

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“…[100] Die Verbrennungsreaktionen von Ethylestern zeigen viele Parallelen, aber auch spezifische mechanistische Unterschiede zu denen von Methylestern. [104,105] Um solche strukturellen Unterschiede herauszuarbeiten, haben Oßwald et al [102] identische brennstoffreiche, vorgemischte Flammen der kleinsten isomeren Ester, Ethylformiat und Methylacetat, als Modell für die Verbrennung von Biodiesel untersucht. Während die globalen Verbrennungscharakteristika wie die Temperaturprofile und Stoffmengenanteile der Hauptkomponenten nahezu ununterscheidbar sind, treten in Bezug auf die Intermediate signifikante Unterschiede zwischen den verschiedenen Brennstoffen auf.…”

Section: Biodiesel -Esterunclassified

Verbrennungschemie der Biokraftstoffe: von Ethanol bis Biodiesel

et al. 2010

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Biokraftstoffe wie Bioethanol, Biobutanol und Biodiesel erfahren zunehmendes Interesse als Alternativen zu Brennstoffen auf Erdölbasis, denn sie versprechen als regenerierbare Energieträger eine langfristige und nachhaltige Perspektive mit vorteilhafter Klimabilanz. Gegenwärtige Diskussionen befassen sich mit der Produktion dieser Brennstoffe, ihrer Kompatibilität mit vorhandenen Motoren und Versorgungsstrukturen sowie der Konkurrenz zwischen der Herstellung von Biokraftstoffen und Nahrungsmitteln. Die Verbrennungschemie der Biokraftstoffe hat dagegen bisher nur wenig Aufmerksamkeit erfahren. In diesem Aufsatz beschreiben wir wesentliche Aspekte der chemischen Reaktionswege bei der Verbrennung prototypischer Vertreter potenzieller Biokraftstoffe wie Alkohole, Ether und Ester. Im Vordergrund stehen dabei die Zersetzungs‐ und Oxidationsmechanismen sowie mögliche unerwünschte Emissionen. Neue experimentelle Methoden und Modellstudien erlauben detaillierte Einblicke in die hochkomplexen Netzwerke chemischer Reaktionen bei der Verbrennung von Biokraftstoffen. Die Chemie dieser Prozesse zu verstehen ist eine wichtige Voraussetzung für die verantwortungsbewusste Auswahl alternativer Kraftstoffe der nächsten Generation.

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“…CO 2 yield measurements were performed using a laser based method and compared to yields calculated from several mechanisms. The auto-ignition of methyl butanoate in a rapid compression machine was studied by Walton et al [17] (experiments at T = 935-1117 K, P = 4.7-19.6 atm, and u = 0.3-0.4.) and ignition delay times were compared to a new model derived from that of Metcalfe et al [13].…”

Section: Introductionmentioning

confidence: 99%

Experimental study of the oxidation of large surrogates for diesel and biodiesel fuels

Hakka¹,

Glaude²,

Herbinet³

et al. 2009

Combustion and Flame

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110

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a b s t r a c tThe experimental study of the oxidation of two blend surrogates for diesel and biodiesel fuels, n-decane/ n-hexadecane and n-decane/methyl palmitate (74/26 mol/mol), has been performed in a jet-stirred reactor over a wide range of temperatures covering both low, and high-temperature regions (550-1100 K), at a residence time of 1.5 s, at quasi atmospheric pressure with high dilution in helium (hydrocarbon inlet mole fraction of 0.002) and at stoichiometric conditions. Numerous reaction products have been identified and quantified. At low and intermediate temperatures (less than 1000 K), the formation of oxygenated species such as cyclic ethers, aldehydes and ketones has been observed for n-decane, n-hexadecane, and methyl palmitate. At higher temperature, the formation of these species was not observed any more, and small amounts of unsaturated species (olefins and unsaturated methyl esters) have been detected.Results obtained with methyl palmitate and n-hexadecane have been compared in order to highlight similarities and differences between large n-alkanes and methyl esters.

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An experimental investigation of structural effects on the auto-ignition properties of two C5 esters

Cited by 78 publications

References 16 publications

Detailed chemical kinetic reaction mechanisms for soy and rapeseed biodiesel fuels

Detailed chemical kinetic reaction mechanisms for soy and rapeseed biodiesel fuels

Verbrennungschemie der Biokraftstoffe: von Ethanol bis Biodiesel

Experimental study of the oxidation of large surrogates for diesel and biodiesel fuels

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