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

Publikation: Bidrag til tidsskriftTidsskriftartikelForskningpeer review

Resumé

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.

OriginalsprogEngelsk
TidsskriftJournal of Supercritical Fluids
Vol/bind143
Sider (fra-til)211-222
Antal sider12
ISSN0896-8446
DOI
StatusUdgivet - 1 jan. 2019

Fingeraftryk

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

Emneord

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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.",
    keywords = "Acetone, Fallopia Japonica, Hydrothermal liquefaction, Kendrick mass defect, Multivariate data analysis, Tetralin",
    author = "Arturi, {Katarzyna Ratajczyk} and Kucheryavskiy, {Sergey V.} and Nielsen, {Rudi Pankratz} and Marco Maschietti and Frederic Vogel and Sasa Bjelic and S{\o}gaard, {Erik Gydesen}",
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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.

    I: Journal of Supercritical Fluids, Bind 143, 01.01.2019, s. 211-222.

    Publikation: Bidrag til tidsskriftTidsskriftartikelForskningpeer review

    TY - JOUR

    T1 - Molecular footprint of co-solvents in hydrothermal liquefaction (HTL) of Fallopia Japonica

    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

    PY - 2019/1/1

    Y1 - 2019/1/1

    N2 - 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.

    AB - 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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    KW - Fallopia Japonica

    KW - Hydrothermal liquefaction

    KW - Kendrick mass defect

    KW - Multivariate data analysis

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