Molecular Solution Behaviour of an Intermediate Biofuel Feedstock

Acetone-Butanol-Ethanol (ABE)

Florian M. Zehentbauer, Johannes Kiefer*

*Corresponding author for this work

Research output: Contribution to journalArticle

7 Citations (Scopus)

Abstract

Mixtures of acetone, butanol, and ethanol (ABE) are common intermediate products in the production of biofuels via biomass fermentation. Their separation to yield, for example, bio-butanol, is still difficult due to the lack of a fundamental understanding of these mixtures at the molecular level. In order to bridge this gap, a detailed analysis of characteristic features of the vibrational spectrum is carried out. A systematic study of the binary solutions of acetone with ethanol and butanol does not only reveal a universal behaviour at the molecular level when acetone is mixed with short-chain alcohols, it also shows that the phenomena at a length scale between the molecules and in the macroscopic solution need to be taken into account to understand the structure-property relationships. The size of self-associated molecule clusters seems to determine whether or not a system exhibits an azeotrope. When a second alcohol is added to an acetone/alcohol solution, no additional non-idealities are induced, which is advantageous for modelling ternary ABE mixtures and for improving their processing in the production of biofuels.

Original languageEnglish
Pages (from-to)3846-3858
Number of pages13
JournalChemPhysChem
Volume16
Issue number18
Early online date21 Oct 2015
DOIs
Publication statusPublished - 21 Dec 2015

Keywords

  • azeotropes
  • binary solutions
  • excess spectroscopy
  • infrared spectroscopy
  • molecular interactions
  • EXCESS MOLAR ENTHALPIES
  • VAPOR-LIQUID-EQUILIBRIA
  • PLUS BENZENE MIXTURES
  • 298.15 K
  • BINARY-MIXTURES
  • REFRACTIVE-INDEXES
  • DIPOLAR LIQUIDS
  • HYDROGEN-BOND
  • FREE-ENERGY
  • CONCENTRATION-DEPENDENCE

Cite this

Molecular Solution Behaviour of an Intermediate Biofuel Feedstock : Acetone-Butanol-Ethanol (ABE). / Zehentbauer, Florian M.; Kiefer, Johannes.

In: ChemPhysChem, Vol. 16, No. 18, 21.12.2015, p. 3846-3858.

Research output: Contribution to journalArticle

Zehentbauer, Florian M. ; Kiefer, Johannes. / Molecular Solution Behaviour of an Intermediate Biofuel Feedstock : Acetone-Butanol-Ethanol (ABE). In: ChemPhysChem. 2015 ; Vol. 16, No. 18. pp. 3846-3858.
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abstract = "Mixtures of acetone, butanol, and ethanol (ABE) are common intermediate products in the production of biofuels via biomass fermentation. Their separation to yield, for example, bio-butanol, is still difficult due to the lack of a fundamental understanding of these mixtures at the molecular level. In order to bridge this gap, a detailed analysis of characteristic features of the vibrational spectrum is carried out. A systematic study of the binary solutions of acetone with ethanol and butanol does not only reveal a universal behaviour at the molecular level when acetone is mixed with short-chain alcohols, it also shows that the phenomena at a length scale between the molecules and in the macroscopic solution need to be taken into account to understand the structure-property relationships. The size of self-associated molecule clusters seems to determine whether or not a system exhibits an azeotrope. When a second alcohol is added to an acetone/alcohol solution, no additional non-idealities are induced, which is advantageous for modelling ternary ABE mixtures and for improving their processing in the production of biofuels.",
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