A comprehensive experimental and kinetic modeling study of di-isobutylene isomers : Part 1

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A comprehensive experimental and kinetic modeling study of di-isobutylene isomers : Part 1

Lokachari, Nitin (författare): National University of Ireland Galway

Kukkadapu, Goutham (författare): Lawrence Livermore National Laboratory

Song, Hwasup (författare): University of Lille

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Vanhove, Guillaume (författare): University of Lille

Lailliau, Maxence (författare): Institut de Combustion, Aérothermique, Réactivité et Environnement

Dayma, Guillaume (författare): Institut de Combustion, Aérothermique, Réactivité et Environnement

Serinyel, Zeynep (författare): Institut de Combustion, Aérothermique, Réactivité et Environnement

Zhang, Kuiwen (författare): Lawrence Livermore National Laboratory

Dauphin, Roland (författare): Centre de Recherche de Solaize TotalEnergies

Etz, Brian (författare): National Renewable Energy Laboratory

Kim, Seonah (författare): National Renewable Energy Laboratory,Colorado State University

Steglich, Mathias (författare): Paul Scherrer Institute

Bodi, Andras (författare): Paul Scherrer Institute

Fioroni, Gina (författare): National Renewable Energy Laboratory

Hemberger, Patrick (författare): Paul Scherrer Institute

Matveev, Sergey S. (författare): Samara National Research University

Konnov, Alexander A. (författare): Lund University,Lunds universitet,Förbränningsfysik,Fysiska institutionen,Institutioner vid LTH,Lunds Tekniska Högskola,LTH profilområde: Energiomställningen,LTH profilområden,Combustion Physics,Department of Physics,Departments at LTH,Faculty of Engineering, LTH,LTH Profile Area: The Energy Transition,LTH Profile areas,Faculty of Engineering, LTH

Dagaut, Philippe (författare): Institut de Combustion, Aérothermique, Réactivité et Environnement

Wagnon, Scott W. (författare): Lawrence Livermore National Laboratory

Pitz, William J. (författare): Lawrence Livermore National Laboratory

Curran, Henry J. (författare): National University of Ireland Galway

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Elsevier BV, 2023
2023
Engelska.
Ingår i: Combustion and Flame. - : Elsevier BV. - 0010-2180. ; 251

Relaterad länk:: http://dx.doi.org/10...; visa fler...; https://lup.lub.lu.s...; https://doi.org/10.1...; visa färre...

Tidskriftsartikel (refereegranskat)

Abstract Ämnesord

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Di-isobutylene has received significant attention as a promising fuel blendstock, as it can be synthesized via biological routes and is a short-listed molecule from the Co-Optima initiative. Di-isobutylene is also popularly used as an alkene representative in multi-component surrogate models for engine studies of gasoline fuels. However, there is limited experimental data available in the literature for neat di-isobutylene under engine-like conditions. Hence, most existing di-isobutylene models have not been extensively validated, particularly at lower temperatures (< 1000 K). Most gasoline surrogate models include the di-isobutylene sub-mechanism published by Metcalfe et al. [1] with little or no modification. The current study is undertaken to develop a detailed kinetic model for di-isobutylene and validate the model using a wide range of relevant experimental data. Part 1 of this study exclusively focuses on the low- to intermediate temperature kinetics of di-isobutylene. An upcoming part 2 discusses the high-temperature model development and validation of the relevant experimental targets. Ignition delay time measurements for the di-isobutylene isomers were performed at pressures ranging from 15 – 30 bar at equivalence ratios of 0.5, 1.0, and 2.0 diluted in air and in the temperature range 650 – 900 K using two independent rapid compression machine facilities. In addition, measurements of species identified during the oxidation of these isomers were performed in a jet-stirred reactor and in a rapid compression machine. A detailed kinetic model for the di-isobutylene isomers is developed to capture the wide range of new experimental targets. For the first time, a comprehensive low-temperature chemistry submodel is included. The differences in the important reaction pathways for the accurate prediction of the oxidation of the two DIB isomers are compared using reaction path analysis. The most sensitive reactions controlling the ignition delay times of the DIB isomers under the pressure and temperature conditions necessary for autoignition in engines are identified.

Ämnesord

TEKNIK OCH TEKNOLOGIER -- Maskinteknik -- Energiteknik (hsv//swe)
ENGINEERING AND TECHNOLOGY -- Mechanical Engineering -- Energy Engineering (hsv//eng)

Nyckelord

Chemical kinetics
Di-isobutylene
Jet-stirred reactor
Kinetic modeling
Rapid compression machine

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TEKNIK OCH TEKNOLOGIER: TEKNIK OCH TEKNO ...; och Maskinteknik; och Energiteknik

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