Tran, Luc-Sy; Carstensen, Hans-Heinrich; Foo, Kae Ken; Lamoureux, Nathalie; Gosselin, Sylvie; Gasnot, Laurent; El-Bakali, Abderrahman; Desgroux, Pascale published the artcile< Experimental and modeling study of the high-temperature combustion chemistry of tetrahydrofurfuryl alcohol>, SDS of cas: 97-99-4, the main research area is tetrahydrofurfuryl alc high temperature combustion chem.
In the present study, the high-temperature (HT) combustion chem. of tetrahydrofurfuryl alc. (THFA), a THF based biofuel, was investigated using a comprehensive exptl. and numerical approach.Representative chem. species profiles in a stoichiometric premixed methane flame doped with ∼20% (molar) THFA at 5.3 kPa were measured using online gas chromatog. The flame temperature was obtained by NO laser-induced fluorescence (LIF) thermometry. More than 40 chem. products were identified and quantified. Many of them such as ethylene, formaldehyde, acrolein, allyl alc., 2,3-dihydrofuran, 3,4-dihydropyran, 4-pentenal, and tetrahydrofuran-2-carbaldehyde are fuel-specific decomposition products formed in rather high concentrations In the numerical part, as a complement to kinetic modeling, high-level theor. calculations were performed to identify plausible reaction pathways that lead to the observed products. A detailed kinetic model for high-temperature combustion of THFA was developed, which reasonably predicts the exptl. data. Subsequent rate anal. showed that THFA is mainly consumed by H-abstraction reactions yielding several fuel radicals that in turn undergo either β-scission reactions or intramol. radical addition that effectively leads to ring enlargement. Along THFA reaction routes, the derived species with cis configuration were found to be thermodynamically more stable than their corresponding trans configuration, which differs from usual observations for hydrocarbons.
Proceedings of the Combustion Institute published new progress about Biofuels. 97-99-4 belongs to class tetrahydrofurans, and the molecular formula is C5H10O2, SDS of cas: 97-99-4.
Referemce:
Tetrahydrofuran – Wikipedia,
Tetrahydrofuran | (CH2)3CH2O – PubChem