Characterization of the combustion of terpene biofuels with the help of high-resolution mass spectrometry - Archive ouverte HAL
Communication Dans Un Congrès Année : 2024

Characterization of the combustion of terpene biofuels with the help of high-resolution mass spectrometry

Résumé

Because of their high-energy density, terpenes could be used as drop-in liquid fuels for ground or air transportation. Two potential terpene fuels, limonene and α-pinene, were oxidized at atmospheric pressure, ina jet-stirred reactor, in the cool flame regime, under fuel-lean conditions and short residence time. Gassamples of the reacting mixtures were collected, analyzed online by FTIR and dissolved in cool acetonitrile for analyzis by high-resolution mass spectrometry (Orbitrap). Direct flow injection or chromatographic separationby ultra-high-performance liquid chromatography and +/- heated electrospray ionization and +/- atmospheric pressure chemical ionization were used to characterize the products of oxidation of limonene and α-pinene. Reaction with 2,4-dinitrophenylhydrazine was used to assess the presence of carbonyl groups in the products.H/D exchange by adding D2O to reaction samples were used for probing the presence of hydroxy andhydroperoxy groups in the products. A large set of oxidation products, including highly oxygenated organic products with five and more oxygen atoms, was observed. Aromatic and/or polyunsaturated products were detected. Van Krevelen plots, computed oxidation state of carbon, aromaticity index, and degree of unsaturation in products were used to rationalize the results and propose reaction pathways.

Domaines

Chimie
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Dates et versions

hal-04528431 , version 1 (01-04-2024)

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Domaine public

Identifiants

  • HAL Id : hal-04528431 , version 1

Citer

Philippe Dagaut, Zahraa Dbouk, Nesrine Belhadj, Maxence Lailliau, Roland Benoit. Characterization of the combustion of terpene biofuels with the help of high-resolution mass spectrometry. ACS Spring 2024, American Chemical Society, Mar 2024, New Orleans (LA), United States. ⟨hal-04528431⟩
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