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

Experimental Investigation of Liquid-Liquid Extraction of Toluene + Heptane or Toluene + Hexane Using Deep Eutectic Solvents

Hosseini, A.[Amir], Haghbakhsh, R.[Reza], Raeissi, S.[Sona]
J. Chem. Eng. Data 2019, 64, 9, 3811-3820
ABSTRACT
In this work, the selective separation of toluene from mixtures of toluene + heptane or toluene + hexane was investigated using the newly emerging family of solvents, namely Deep Eutectic Solvents (DESs), as the extracting agent. The Liquid-Liquid Equilibria (LLE) of these systems were measured at a temperature of 303.2 K and a pressure of 85 kPa. The DES considered were made of choline chloride as the hydrogen bond acceptor (HBA) and phenol as the hydrogen bond donor (HBD), at the two different HBA:HBD molar ratios of 1:3 and 1:4. The experimental liquidliquid equilibrium data, along with the selectivities and distribution coefficients were reported for each set of equilibrium data and also compared with other ternary systems in the literature containing toluene + heptane or toluene + hexane and various solvents. The experimental results revealed that the studied DESs in this work have the potential to be utilized in the separation of toluene from either hexane or heptane at low concentrations of toluene. The experimental LLE data was also modelled using the Non-Random Two Liquid (NRTL) model. The values of the root-mean-square deviations of the NRTL results with respect to experimental values indicated acceptable agreements, suggesting NRTL as a potential model for such systems.
Compounds
# Formula Name
1 C5H14ClNO choline chloride
2 C6H6O phenol
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
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 10
  • POMD
  • 1
  • 2
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Concentric cylinders viscometry
  • 10