Molecular footprint of co-solvents in hydrothermal liquefaction (HTL) of Fallopia Japonica

Katarzyna Ratajczyk Arturi, Sergey V. Kucheryavskiy, Rudi Pankratz Nielsen, Marco Maschietti, Frederic Vogel, Sasa Bjelic, Erik Gydesen Søgaard

Research output: Contribution to journalJournal articleResearchpeer-review

2 Citations (Scopus)

Abstract

The influence of co-solvents on hydrothermal liquefaction (HTL) of Fallopia Japonica was studied as a function of temperature. Combination of low and high-resolution mass spectrometry with multi-layered data mining strategy resulted in a comprehensive characterization of the reaction products, mostly water-soluble organics (WSO) with a broad spectrum of chemical functionalities. The non-targeted analysis revealed the presence of a core composition in the samples independent of the process conditions and consisting of hydroxycarboxylic acids, imids, lactones, lactams, phenolics, various short-chain oxygenated aliphatics, and cyclohexane derivatives. Changes in process conditions did not affect those species showing that a part of the HTL product is not susceptible to process tailoring by addition of co-solvents. The findings indicated that the effect of tetralin is a combination of solubilization and scavenging resulting in an increased abundance of monomeric aromatics. For acetone, the results pointed to the promotion of retro-aldol splitting yielding low molecular weight oxygenates.

Original languageEnglish
JournalJournal of Supercritical Fluids
Volume143
Pages (from-to)211-222
Number of pages12
ISSN0896-8446
DOIs
Publication statusPublished - 1 Jan 2019

Fingerprint

liquefaction
footprints
Liquefaction
Lactams
data mining
Scavenging
scavenging
promotion
Lactones
low molecular weights
Cyclohexane
Acetone
Reaction products
cyclohexane
reaction products
acetone
Mass spectrometry
Data mining
mass spectroscopy
Molecular weight

Keywords

  • Acetone
  • Fallopia Japonica
  • Hydrothermal liquefaction
  • Kendrick mass defect
  • Multivariate data analysis
  • Tetralin

Cite this

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title = "Molecular footprint of co-solvents in hydrothermal liquefaction (HTL) of Fallopia Japonica",
abstract = "The influence of co-solvents on hydrothermal liquefaction (HTL) of Fallopia Japonica was studied as a function of temperature. Combination of low and high-resolution mass spectrometry with multi-layered data mining strategy resulted in a comprehensive characterization of the reaction products, mostly water-soluble organics (WSO) with a broad spectrum of chemical functionalities. The non-targeted analysis revealed the presence of a core composition in the samples independent of the process conditions and consisting of hydroxycarboxylic acids, imids, lactones, lactams, phenolics, various short-chain oxygenated aliphatics, and cyclohexane derivatives. Changes in process conditions did not affect those species showing that a part of the HTL product is not susceptible to process tailoring by addition of co-solvents. The findings indicated that the effect of tetralin is a combination of solubilization and scavenging resulting in an increased abundance of monomeric aromatics. For acetone, the results pointed to the promotion of retro-aldol splitting yielding low molecular weight oxygenates.",
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Molecular footprint of co-solvents in hydrothermal liquefaction (HTL) of Fallopia Japonica. / Arturi, Katarzyna Ratajczyk; Kucheryavskiy, Sergey V.; Nielsen, Rudi Pankratz; Maschietti, Marco; Vogel, Frederic; Bjelic, Sasa; Søgaard, Erik Gydesen.

In: Journal of Supercritical Fluids, Vol. 143, 01.01.2019, p. 211-222.

Research output: Contribution to journalJournal articleResearchpeer-review

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AU - Arturi, Katarzyna Ratajczyk

AU - Kucheryavskiy, Sergey V.

AU - Nielsen, Rudi Pankratz

AU - Maschietti, Marco

AU - Vogel, Frederic

AU - Bjelic, Sasa

AU - Søgaard, Erik Gydesen

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