Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Salt effect on liquid-liquid equilibria of tetrahydrofuran/water/5-hydroxymethylfurfural systems

Xie, Yujiao, Yu, Fangyong, Wang, Yong, He, Xianglei, Zhou, Shengren, Cui, Hongyou
Fluid Phase Equilib. 2019, 493, 137-143
ABSTRACT
Salts strongly affect the phase equilibria of aqueous systems in biotechnological processes. In this work, the influence of salt on the performance of extracting 5-hydroxymethylfurfural (HMF) from aqueous media using tetrahydrofuran (THF) was investigated. The liquid-liquid equilibria (LLE) of ternary (THF/water/MCl, M = Li, Na or K) and quaternary (THF/water/HMF/MCl) systems were determined at 303.15 K and atmospheric pressure. The salting-out effects of LiCl, NaCl, and KCl were studied at different concentrations within their solubility limits. From the experimental LLE of the THF/water/MCl, it was found that THF was salted out from the aqueous phase upon addition of salt. Based on the LLE of THF/water/HMF/MCl, the partition coefficient of HMF and selectivity were determined. Finally, the experimental equilibrium data of the quaternary systems were correlated via the nonrandom two-liquid (NRTL) model, and the calculation results showed good agreement with the experimental data.
Compounds
# Formula Name
1 C4H8O tetrahydrofuran
2 H2O water
3 ClLi lithium chloride
4 ClNa sodium chloride
5 ClK potassium chloride
6 C6H12O 4-methylpentan-2-one
7 C6H6O3 5-(hydroxymethyl)furan-2-carbaldehyde
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 mixture 2
  • Mass fraction - 1 ; Liquid mixture 1
  • Mass fraction - 3 ; Liquid mixture 1
  • Mass fraction - 1; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • Chromatography
  • Chromatography
  • 5
  • POMD
  • 1
  • 2
  • 4
  • Mass fraction - 4 ; Liquid mixture 2
  • Mass fraction - 4 ; Liquid mixture 1
  • Mass fraction - 1 ; Liquid mixture 1
  • Mass fraction - 1; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • Chromatography
  • Chromatography
  • 5
  • POMD
  • 1
  • 2
  • 5
  • Mass fraction - 5 ; Liquid mixture 2
  • Mass fraction - 5 ; Liquid mixture 1
  • Mass fraction - 1 ; Liquid mixture 1
  • Mass fraction - 1; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • Chromatography
  • Chromatography
  • 5
  • POMD
  • 6
  • 7
  • 2
  • Mass fraction - 6 ; Liquid mixture 2
  • Mass fraction - 6 ; Liquid mixture 1
  • Mass fraction - 7 ; Liquid mixture 1
  • Mass fraction - 7; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • Chromatography
  • Chromatography
  • 7