Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

Measurement and Modeling of Phase Equilibria in Systems Containing Water, Xylose, Furfural, and Acetic Acid

Galeotti, N.[Nadia], Burger, J.[Jakob], Hasse, H.[Hans]
J. Chem. Eng. Data 2019, 64, 6, 2634-2640
ABSTRACT
Wood hydrolysates obtained in biotechnological processes are typically aqueous solutions that contain, among others, sugars, acetic acid, and furfural. Only little is known on the influence of the sugars on the phase equilibria in those mixtures. Therefore liquid-liquid equilibria (LLE), solid-liquid equilibria (SLE), and solid-liquid-liquid equilibria (SLLE) in the system (water (W) + xylose (X) + furfural (F)) were studied in the present work at 298.15 K and 333.15 K. Additionally, the LLE in the system (W + X + F + acetic acid (AA)) was studied at 298.15 K. The results show that, up to the solubility limit of xylose, adding xylose to mixtures of (W + F) hardly influences the width of the miscibility gap, and that there is practically no xylose in the furfural-rich phase. However, the miscibility gap in the ternary system (W + F + AA) is slightly widened by the addition of xylose. The experimental data on the phase equilibria from the present work were described using the NRTL model. The model describes the experimental data well. To
Compounds
# Formula Name
1 H2O water
2 C5H10O5 D-xylose
3 C5H4O2 2-furaldehyde
4 C2H4O2 acetic acid
Datasets
The table above is generated from the ThermoML associated json file (link above). POMD and RXND refer to PureOrMixture and Reaction Datasets. The compound numbers are included in properties, variables, and phases, if specificied; the numbers refer to the table of compounds on the left.
Type Compound-# Property Variable Constraint Phase Method #Points
  • POMD
  • 1
  • 2
  • 3
  • Mass fraction - 3 ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • multiple techniques
  • 2
  • POMD
  • 1
  • 2
  • 3
  • Mass fraction - 3 ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • multiple techniques
  • 4
  • POMD
  • 1
  • 2
  • 3
  • Mass fraction - 3 ; Liquid mixture 1
  • Mass fraction - 2 ; Liquid mixture 2
  • Mass fraction - 3 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Mass fraction - 2; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • OTHER
  • OTHER
  • OTHER
  • 14
  • POMD
  • 1
  • 3
  • 4
  • Mole fraction - 4 ; Liquid mixture 1
  • Mole fraction - 4 ; Liquid mixture 2
  • Mole fraction - 3 ; Liquid mixture 2
  • Mole fraction - 3; Liquid mixture 1
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • OTHER
  • OTHER
  • OTHER
  • 2
  • POMD
  • 1
  • 3
  • Mass fraction - 3 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • OTHER
  • 2
  • POMD
  • 1
  • 3
  • Mass fraction - 3 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • OTHER
  • 2
  • POMD
  • 1
  • 2
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mass fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • multiple techniques
  • 2