Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Measurement of phase equilibria data for the extraction of toluene from alkane using different solvents

Mesquita, F. M. R.[Francisca Maria Rodrigues], Pinheiro, R. S.[Regiane Silva], Santiago-Aguiar, R. S.[Rilvia S.], Sant'Ana, H. B. d.[Hosiberto B. de]
Fluid Phase Equilib. 2015, 404, 49-54
ABSTRACT
In the petrochemical industry, the separation of aromatics from alkanes is a complex process due to the overlapping boiling points and azeotrope formation in specific operational conditions. In this work, 2-hydroxy ethylammonium formate (2-HEAF) and glycerol were evaluated as an extractor solvent of toluene from decane + toluene mixtures, by comparing with widespread solvent used in industrial applications, sulfolane. New liquid liquid equilibrium (LLE) data for three ternary systems: {decane (1) + toluene (2) + glycerol (3); decane (1) + toluene (2) + [2-HEAF] (4); and decane (1) + toluene (2) + sulfolane (5)} at T = (303.15 and 333.15) K and atmospheric pressure has been studied. Heterogeneous region in LLE diagram presents a wide area and are not influenced by temperature, in the studied domain. From experimental data, distribution coefficients and selectivity parameters have been used determined and used to evaluate the efficiency of the studied solvents (sulfolane, glycerol and 2-HEAF) to extract toluene from decane. Two thermodynamics models (NRTL and UNIQUAC) were used to obtain binary interaction parameters. These models have been also used to correlate LLE experimental data for the studied ternary systems. A comparison between experimental and calculated data indicate that better agreement has been performed by using NRTL model.
Compounds
# Formula Name
1 C10H22 decane
2 C7H8 toluene
3 C3H8O3 glycerol
4 C3H9NO3 2-hydroxyethylammonium formate
5 C4H8O2S sulfolane
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
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 4
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 5
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 3
  • 2
  • 1
  • Mass fraction - 2 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Mass fraction - 1; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 29
  • POMD
  • 3
  • 2
  • 1
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 1; Liquid
  • Mass fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 29
  • POMD
  • 3
  • 2
  • 1
  • Mass fraction - 1 ; Liquid mixture 2
  • Mass fraction - 2 ; Liquid mixture 1
  • Mass fraction - 1 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Mass fraction - 2; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Density calibration data
  • Density calibration data
  • Density calibration data
  • 10
  • POMD
  • 2
  • 1
  • 4
  • Mass fraction - 2 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Mass fraction - 1; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 29
  • POMD
  • 2
  • 1
  • 4
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 1; Liquid
  • Mass fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 29
  • POMD
  • 2
  • 1
  • 4
  • Mass fraction - 1 ; Liquid mixture 1
  • Mass fraction - 1 ; Liquid mixture 2
  • Mass fraction - 2 ; 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
  • Density calibration data
  • Density calibration data
  • Density calibration data
  • 12
  • POMD
  • 2
  • 1
  • 5
  • Mass fraction - 2 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Mass fraction - 1; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 29
  • POMD
  • 2
  • 1
  • 5
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 1; Liquid
  • Mass fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 29
  • POMD
  • 2
  • 1
  • 5
  • Mass fraction - 1 ; Liquid mixture 2
  • Mass fraction - 2 ; Liquid mixture 1
  • Mass fraction - 1 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Mass fraction - 2; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Density calibration data
  • Density calibration data
  • Density calibration data
  • 10