An experimental and kinetic modeling study of auto-ignition and flame propagation of ethyl lactate/air mixtures, a potential octane booster

Cenedese, Giorgia; Serinyel, Zeynep; Halter, Fabien; Foucher, Fabrice; Dayma, Guillaume

doi:10.1016/j.proci.2022.08.042

Cited by 2 publications

(1 citation statement)

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“…The use of oxygenates as biofuels is of interest due to their potential to enhance cleaner combustion and use as "green solvents". 1,2 Compared to all-carbon molecules, oxygenated alternatives can have more favorable physical properties and reduced emissions of CO, NO 𝑥 , unburned hydrocarbons and soot as the overall available carbon is reduced. Zheng et al 3 studied the effect of oxygenated additives with various functional groups on the combustion and emissions under diesel conditions.…”

Section: Introductionmentioning

confidence: 99%

Abstraction and addition reactions of four γ‐lactones with H‐atoms and methyl radicals

Würmel

Simmie

2023

Int J of Chemical Kinetics

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The five-membered cyclic esters, or 𝛾-lactones, are promising candidates as biofuel additives and green solvent components. A comprehensive study of thermochemical and kinetic properties of 𝛾-butyrolactone (GBL), 𝛾-valerolactone (GVL), 𝛾-caprolactone (GCL), and 𝛾-heptalactone (GHL) has been conducted.The entropy, , specific heat, , enthalpy function, , and the enthalphy of formation at 298.15 K, , as well as the adiabatic ionization potential and single bond dissociation energies are reported. Bimolecular rate constants for the abstraction of H-atom by H • and CH • 3 are presented on a per abstractable hydrogen basis; abstraction at the tertiary carbon site is consistently favored, while abstraction by CH • 3 lags behind H • . Addition reactions of H • and CH • 3 have high barriers and favor addition to the C-center.

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Section: Introductionmentioning

confidence: 99%