Article Dans Une Revue Energy & Fuels Année : 2025

Identification of Key Molecular Features in Liquid Phase Autoxidation of Hydrocarbons

Résumé

Sustainable aviation fuel (SAF) derived from renewable sources represents a promising solution to reduce aviation’s environmental impact. However, its implementation currently requires blending with conventional fossil jet fuel, which could lead to modification of fuel’s initial properties. An important property of hydrocarbons is oxidation stability, defined as the resistance to react with oxygen at near-ambient temperatures. This property is of utmost importance, since the accumulation of oxidation products may result in system failures. In this study, we aim to understand the relationships between the molecular structure and the oxidation stability of several hydrocarbons relevant to the jet fuel range. For this purpose, we performed accelerated oxidation tests of various linear and branched paraffins, naphthenes, olefins, aromatics, and diaromatics. Our experimental results allowed to identify new reactivity relationships, for instance, the impact of branch position in methylpentane isomers, ring size and substitutions in naphthenes, and olefin substitution degree on oxidation stability. Furthermore, our comprehensive study allowed us to correct and supplement previously reported reactivity trends. For instance, we found that the number of substituents in aromatic compounds reduces their stability, while ortho-substituted aromatics are more reactive than their meta- and para-counterparts. Interestingly, we also observed that quaternary carbons can decrease the stability at higher carbon numbers and olefins can present high stability when lacking allylic hydrogens.
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Dates et versions

hal-04918195 , version 1 (29-01-2025)

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Adrian Venegas Reynoso, L. Giarracca-Mehl, M. Lacoue-Negre, B. Creton, Cyril Ruckebusch, et al.. Identification of Key Molecular Features in Liquid Phase Autoxidation of Hydrocarbons. Energy & Fuels, 2025, Energy Fuels, -, ⟨10.1021/acs.energyfuels.4c04653⟩. ⟨hal-04918195⟩
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