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Evaluation of acetophenone as a novel alcohol-cycloalkane bifunctional liquid organic hydrogen carrier (LOHC).

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Title: Evaluation of acetophenone as a novel alcohol-cycloalkane bifunctional liquid organic hydrogen carrier (LOHC).
Authors: D'Ambra, Florian1 (AUTHOR) florian.dambra@cea.fr, Levy, Julia1 (AUTHOR), Hajiyev, Parviz1 (AUTHOR), Cantat, Thibault2 (AUTHOR), Gébel, Gérard1 (AUTHOR), Faucheux, Vincent1 (AUTHOR), Nicolas, Emmanuel1,2 (AUTHOR) emmanuel.nicolas@cea.fr
Source: International Journal of Hydrogen Energy. Oct2023, Vol. 48 Issue 85, p33207-33222. 16p.
Subjects: Liquid hydrogen, Lithium borohydride, Aluminum oxide, Acetophenone, Heterogeneous catalysts, Hydrogen storage
Abstract: In this contribution, we propose the couple 1-Cyclohexylethanol/Acetophenone as a new biobased and bifunctional LOHC. This material shows promises for hydrogen storage by DFT modelling, while commercial catalysts were identified to carry out both hydrogenation and dehydrogenation: Ru/Al 2 O 3 was found to catalyse the complete hydrogenation of the LOHC at 115 °C in 2 h with 98% selectivity and, for the first time, Pt/C carries out the dehydrogenation at 205 °C in 36 h with total conversion but with a limited Degree of Dehydrogenation of 72%. The system was cycled three times during which up to 50% of the total hydrogen capacity was exploited, stable after 3 cycles. Kinetics experiments and DFT modelling of the reactions intermediates show that a system pairing C–O and C–C bonds is prone to degradation, due to side-reactions initiated by the O-moiety and the reversible hydrogenation of the C O bond during the dehydrogenation step. [Display omitted] • 1-Cyclohexylethanol/Acetophenone was proposed as a new biobased bifunctional LOHC. • Full hydrogenation and dehydrogenation were achieved with heterogeneous catalysts. • Energies of activation of each function was measured during the dehydrogenation. • Up to 53% of the total hydrogen capacity was exploited during the cycling. • DFT modelling rationalized the dehydrogenation pathway and degradation products. [ABSTRACT FROM AUTHOR]
Copyright of International Journal of Hydrogen Energy is the property of Pergamon Press - An Imprint of Elsevier Science and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
Database: Engineering Source
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Header DbId: egs
DbLabel: Engineering Source
An: 172043051
AccessLevel: 6
PubType: Academic Journal
PubTypeId: academicJournal
PreciseRelevancyScore: 0
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  Data: Evaluation of acetophenone as a novel alcohol-cycloalkane bifunctional liquid organic hydrogen carrier (LOHC).
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  Data: <searchLink fieldCode="AR" term="%22D'Ambra%2C+Florian%22">D'Ambra, Florian</searchLink><relatesTo>1</relatesTo> (AUTHOR)<i> florian.dambra@cea.fr</i><br /><searchLink fieldCode="AR" term="%22Levy%2C+Julia%22">Levy, Julia</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Hajiyev%2C+Parviz%22">Hajiyev, Parviz</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Cantat%2C+Thibault%22">Cantat, Thibault</searchLink><relatesTo>2</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Gébel%2C+Gérard%22">Gébel, Gérard</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Faucheux%2C+Vincent%22">Faucheux, Vincent</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Nicolas%2C+Emmanuel%22">Nicolas, Emmanuel</searchLink><relatesTo>1,2</relatesTo> (AUTHOR)<i> emmanuel.nicolas@cea.fr</i>
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  Data: <searchLink fieldCode="JN" term="%22International+Journal+of+Hydrogen+Energy%22">International Journal of Hydrogen Energy</searchLink>. Oct2023, Vol. 48 Issue 85, p33207-33222. 16p.
– Name: Subject
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  Data: <searchLink fieldCode="DE" term="%22Liquid+hydrogen%22">Liquid hydrogen</searchLink><br /><searchLink fieldCode="DE" term="%22Lithium+borohydride%22">Lithium borohydride</searchLink><br /><searchLink fieldCode="DE" term="%22Aluminum+oxide%22">Aluminum oxide</searchLink><br /><searchLink fieldCode="DE" term="%22Acetophenone%22">Acetophenone</searchLink><br /><searchLink fieldCode="DE" term="%22Heterogeneous+catalysts%22">Heterogeneous catalysts</searchLink><br /><searchLink fieldCode="DE" term="%22Hydrogen+storage%22">Hydrogen storage</searchLink>
– Name: Abstract
  Label: Abstract
  Group: Ab
  Data: In this contribution, we propose the couple 1-Cyclohexylethanol/Acetophenone as a new biobased and bifunctional LOHC. This material shows promises for hydrogen storage by DFT modelling, while commercial catalysts were identified to carry out both hydrogenation and dehydrogenation: Ru/Al 2 O 3 was found to catalyse the complete hydrogenation of the LOHC at 115 °C in 2 h with 98% selectivity and, for the first time, Pt/C carries out the dehydrogenation at 205 °C in 36 h with total conversion but with a limited Degree of Dehydrogenation of 72%. The system was cycled three times during which up to 50% of the total hydrogen capacity was exploited, stable after 3 cycles. Kinetics experiments and DFT modelling of the reactions intermediates show that a system pairing C–O and C–C bonds is prone to degradation, due to side-reactions initiated by the O-moiety and the reversible hydrogenation of the C O bond during the dehydrogenation step. [Display omitted] • 1-Cyclohexylethanol/Acetophenone was proposed as a new biobased bifunctional LOHC. • Full hydrogenation and dehydrogenation were achieved with heterogeneous catalysts. • Energies of activation of each function was measured during the dehydrogenation. • Up to 53% of the total hydrogen capacity was exploited during the cycling. • DFT modelling rationalized the dehydrogenation pathway and degradation products. [ABSTRACT FROM AUTHOR]
– Name: AbstractSuppliedCopyright
  Label:
  Group: Ab
  Data: <i>Copyright of International Journal of Hydrogen Energy is the property of Pergamon Press - An Imprint of Elsevier Science and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
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RecordInfo BibRecord:
  BibEntity:
    Identifiers:
      – Type: doi
        Value: 10.1016/j.ijhydene.2023.05.024
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      – Code: eng
        Text: English
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      Pagination:
        PageCount: 16
        StartPage: 33207
    Subjects:
      – SubjectFull: Liquid hydrogen
        Type: general
      – SubjectFull: Lithium borohydride
        Type: general
      – SubjectFull: Aluminum oxide
        Type: general
      – SubjectFull: Acetophenone
        Type: general
      – SubjectFull: Heterogeneous catalysts
        Type: general
      – SubjectFull: Hydrogen storage
        Type: general
    Titles:
      – TitleFull: Evaluation of acetophenone as a novel alcohol-cycloalkane bifunctional liquid organic hydrogen carrier (LOHC).
        Type: main
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            NameFull: D'Ambra, Florian
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            NameFull: Levy, Julia
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            NameFull: Hajiyev, Parviz
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            NameFull: Cantat, Thibault
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            NameFull: Gébel, Gérard
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            – D: 15
              M: 10
              Text: Oct2023
              Type: published
              Y: 2023
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              Value: 48
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              Value: 85
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            – TitleFull: International Journal of Hydrogen Energy
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