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RESEARCH PRODUCT
Methyl-3-Hexenoate Combustion Chemistry: Experimental Study and Numerical Kinetic Simulation
Oleg P. KorobeinichevZeynep SerinyelZeynep SerinyelMarco Lubrano LavaderaAlexander A. KonnovDenis A. KnyazkovPhilippe DagautTatyana A. BolshovaLuis Le MoyneChong-wen ZhouAlan KeromnesIlya E. GerasimovMaxime CarbonnierMaxime CarbonnierBenoîte LefortGuillaume DaymaGuillaume DaymaAndrey G. Shmakovsubject
Materials scienceGeneral Chemical EngineeringFlame structureGeneral Physics and AstronomyEnergy Engineering and Power TechnologyThermodynamics02 engineering and technologyKinetic energyCombustion01 natural sciences7. Clean energylaw.invention020401 chemical engineeringlawOxidation mechanisms0103 physical sciencesOxidationJet stirred reactor0204 chemical engineeringShock tubePremixed flame010304 chemical physics[SPI.FLUID]Engineering Sciences [physics]/Reactive fluid environmentBurning velocityLaminar flowGeneral Chemistrykinetic modelingIgnitionbiofuelsIgnition system[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistryFuel TechnologyFlame structureCombustorMethyl-3-hexenoatedescription
International audience; This work represents a detailed investigation of combustion and oxidation of methyl-3-hexenoate (CAS Number 2396-78-3), including experimental studies of combustion and oxidation characteristics, quantum chemistry calculations and kinetic model refinement. Following experiments have been carried out: Speciation measurements during oxidation in a jet-stirred reactor at 1 atm; chemical speciation measurements in a stoichiometric premixed flame at 1 atm using molecular-beam mass-spectrometry; ignition delay times measurements in a shock tube at 20 and 40 bar; and laminar burning velocity measurements at 1 atm using a heat-flux burner over a range of equivalence ratios. An updated detailed chemical kinetic mechanism for methyl-3-hexenoate combustion based on previous studies was proposed and validated against the novel experimental data and the relevant data available in literature with satisfactory agreement. Sensitivity and reaction pathway analyses were performed to show main decomposition pathways of methyl-3-hexenoate and underline possible sources of disagreements between experiments and simulations.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2020-12-01 |