Molecules (Apr 2023)

Analysis of Dibenzyltoluene Mixtures: From Fast Analysis to In-Depth Characterization of the Compounds

  • Xiaolong Ji,
  • Essyllt Louarn,
  • Fabienne Fache,
  • Laurent Vanoye,
  • Anne Bonhommé,
  • Isabelle Pitault,
  • Valérie Meille

DOI
https://doi.org/10.3390/molecules28093751
Journal volume & issue
Vol. 28, no. 9
p. 3751

Abstract

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The so-called dibenzyltoluene (H0-DBT) heat transfer oil contains numerous isomers of dibenzyltoluene as well as (benzyl)benzyltoluene (methyl group on the central vs. the side aromatic ring). As it is used as a liquid organic hydrogen carrier (LOHC), a detailed analysis of its composition is crucial in assessing the kinetic rate of hydrogenation for each constituent and studying the mechanism of H0-DBT hydrogenation. To identify all of the compounds in the oil, an in-depth analysis of the GC–MS spectra was performed. To confirm peak attribution, we synthesized some DBTs and characterized the pure compounds using NMR and Raman spectroscopies. Moreover, a fast-GC analysis was developed to rapidly determine the degree of hydrogenation of the mixture.

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