Supercritical water gasification of organic acids and alcohols: the effect of chain length

Research output: Contribution to journalArticleAcademicpeer-review

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Abstract

We report the influence of the molecular structure on the gasification behaviour for a homologous series of linear chain (C1–C8) carboxylic acids and alcohols in supercritical water (600 °C and 250 bar) at two different concentrations (10 and 20 wt%). The initial concentration of carboxylic acids had a significant influence on the gasification efficiency (GE), whereas no such effect was found for the alcohol series studied. Alcohols were found to be much easier to gasify than the organic acids and the carbon GE trend of alcohols was opposite to that of acids, especially for the short chain compounds. With increasing chain length the GE stabilizes to around 50% at the conditions chosen. From gas and liquid phase product analysis decomposition schemes were proposed for the short chain compounds. A remarkable oscillatory behaviour of the methane and CO2 product yield with increasing chain length of the acids and alcohols was found experimentally. A simple model was derived, based on essentially a β-scission cracking mechanism, which was able to explain the observed product spectrum and the oscillatory behaviour. Additionally, the influence of the number and positioning of OH groups on the gasification behaviour was studied
Original languageEnglish
Pages (from-to)8-21
Number of pages14
JournalJournal of supercritical fluids
Volume74
DOIs
Publication statusPublished - 2013

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gasification
Organic acids
Chain length
Gasification
alcohols
Alcohols
acids
Water
water
Carboxylic Acids
Carboxylic acids
carboxylic acids
products
Acids
Methane
Molecular structure
positioning
cleavage
liquid phases
molecular structure

Keywords

  • IR-89994
  • METIS-298171

Cite this

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title = "Supercritical water gasification of organic acids and alcohols: the effect of chain length",
abstract = "We report the influence of the molecular structure on the gasification behaviour for a homologous series of linear chain (C1–C8) carboxylic acids and alcohols in supercritical water (600 °C and 250 bar) at two different concentrations (10 and 20 wt{\%}). The initial concentration of carboxylic acids had a significant influence on the gasification efficiency (GE), whereas no such effect was found for the alcohol series studied. Alcohols were found to be much easier to gasify than the organic acids and the carbon GE trend of alcohols was opposite to that of acids, especially for the short chain compounds. With increasing chain length the GE stabilizes to around 50{\%} at the conditions chosen. From gas and liquid phase product analysis decomposition schemes were proposed for the short chain compounds. A remarkable oscillatory behaviour of the methane and CO2 product yield with increasing chain length of the acids and alcohols was found experimentally. A simple model was derived, based on essentially a β-scission cracking mechanism, which was able to explain the observed product spectrum and the oscillatory behaviour. Additionally, the influence of the number and positioning of OH groups on the gasification behaviour was studied",
keywords = "IR-89994, METIS-298171",
author = "A.G. Chakinala and S. Kumar and A. Kruse and Kersten, {Sascha R.A.} and {van Swaaij}, {Willibrordus Petrus Maria} and Brilman, {Derk Willem Frederik}",
year = "2013",
doi = "10.1016/j.supflu.2012.11.013",
language = "English",
volume = "74",
pages = "8--21",
journal = "Journal of supercritical fluids",
issn = "0896-8446",
publisher = "Elsevier",

}

Supercritical water gasification of organic acids and alcohols: the effect of chain length. / Chakinala, A.G.; Kumar, S.; Kruse, A.; Kersten, Sascha R.A.; van Swaaij, Willibrordus Petrus Maria; Brilman, Derk Willem Frederik.

In: Journal of supercritical fluids, Vol. 74, 2013, p. 8-21.

Research output: Contribution to journalArticleAcademicpeer-review

TY - JOUR

T1 - Supercritical water gasification of organic acids and alcohols: the effect of chain length

AU - Chakinala, A.G.

AU - Kumar, S.

AU - Kruse, A.

AU - Kersten, Sascha R.A.

AU - van Swaaij, Willibrordus Petrus Maria

AU - Brilman, Derk Willem Frederik

PY - 2013

Y1 - 2013

N2 - We report the influence of the molecular structure on the gasification behaviour for a homologous series of linear chain (C1–C8) carboxylic acids and alcohols in supercritical water (600 °C and 250 bar) at two different concentrations (10 and 20 wt%). The initial concentration of carboxylic acids had a significant influence on the gasification efficiency (GE), whereas no such effect was found for the alcohol series studied. Alcohols were found to be much easier to gasify than the organic acids and the carbon GE trend of alcohols was opposite to that of acids, especially for the short chain compounds. With increasing chain length the GE stabilizes to around 50% at the conditions chosen. From gas and liquid phase product analysis decomposition schemes were proposed for the short chain compounds. A remarkable oscillatory behaviour of the methane and CO2 product yield with increasing chain length of the acids and alcohols was found experimentally. A simple model was derived, based on essentially a β-scission cracking mechanism, which was able to explain the observed product spectrum and the oscillatory behaviour. Additionally, the influence of the number and positioning of OH groups on the gasification behaviour was studied

AB - We report the influence of the molecular structure on the gasification behaviour for a homologous series of linear chain (C1–C8) carboxylic acids and alcohols in supercritical water (600 °C and 250 bar) at two different concentrations (10 and 20 wt%). The initial concentration of carboxylic acids had a significant influence on the gasification efficiency (GE), whereas no such effect was found for the alcohol series studied. Alcohols were found to be much easier to gasify than the organic acids and the carbon GE trend of alcohols was opposite to that of acids, especially for the short chain compounds. With increasing chain length the GE stabilizes to around 50% at the conditions chosen. From gas and liquid phase product analysis decomposition schemes were proposed for the short chain compounds. A remarkable oscillatory behaviour of the methane and CO2 product yield with increasing chain length of the acids and alcohols was found experimentally. A simple model was derived, based on essentially a β-scission cracking mechanism, which was able to explain the observed product spectrum and the oscillatory behaviour. Additionally, the influence of the number and positioning of OH groups on the gasification behaviour was studied

KW - IR-89994

KW - METIS-298171

U2 - 10.1016/j.supflu.2012.11.013

DO - 10.1016/j.supflu.2012.11.013

M3 - Article

VL - 74

SP - 8

EP - 21

JO - Journal of supercritical fluids

JF - Journal of supercritical fluids

SN - 0896-8446

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