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RESEARCH PRODUCT
Oxidation of pentan-2-ol -Part II: Experimental and modeling study
Alan KeromnesBenoîte LefortJunfeng BaiYuxiang ZhuLuis Le MoyneChong-wen ZhouPhilippe DagautMaxime CarbonnierMaxime CarbonnierZeynep SerinyelZeynep SerinyelGuillaume DaymaGuillaume Daymasubject
Materials scienceGeneral Chemical Engineeringpentan-2-olAnalytical chemistrychemistry.chemical_element02 engineering and technologyshock tube010402 general chemistryMole fraction01 natural sciences020401 chemical engineeringAb initio quantum chemistry methods0204 chemical engineeringPhysical and Theoretical ChemistryFourier transform infrared spectroscopyShock tubeArgonMechanical Engineering[SPI.FLUID]Engineering Sciences [physics]/Reactive fluid environmentdetailed mechanismAtmospheric temperature rangebiofuels0104 chemical sciences[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistrychemistrykineticsjet-stirred reactorGas chromatographyStoichiometrydescription
International audience; The oxidation of pentan-2-ol was investigated at high-pressure in a jet-stirred reactor and in a shock tube. Experiments in the JSR were carried out at 10 atm, between 500-1180 K, for five different equivalence ratios of = 0.35, 0.5, 1, 2, 4 and 1000 ppm of fuel, at a constant residence time of 0.7 s. Reactant, product and intermediate species mole fractions were quantified using Fourier transform infrared spectrometry (FTIR) and gas chromatography (GC). Ignition delay times were measured for pentan-2-ol/O 2 mixtures in argon in a shock tube at 20 and 40 bar, in a temperature range of 1070-1460 K and for equivalence ratios of = 0.5, 1 and 2. Ignition delay times of a stoichiometric mixture were also measured in air at 20 bar. Under these conditions, this alcohol exhibited no low-temperature reactivity in either experimental setups. Based on ab initio calculations presented in the companion paper, a detailed kinetic mechanism was developed in order to reproduce the present data and analyze the reaction pathways.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2021-01-01 |