Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Liquid + liquid equilibria for ternary mixtures of (solvent + aromatic hydrocarbon + alkane)

Mohsen-Nia, M., Modarress, H., Doulabi, F., Bagheri, H.
J. Chem. Thermodyn. 2005, 37, 10, 1111-1118
ABSTRACT
Liquid + liquid equilibrium (LLE) results for the ternary mixtures of (solvent + aromatic hydrocarbon + alkane) at different temperatures from (298.15 to 313.15) K are reported, where the aromatic hydrocarbon is toluene or m-xylene and the alkane is n-heptane or n-octane or cyclohexane and the solvent is tetramethylene sulfone (i.e., sulfolane) or dimethyl sulfoxide (DMSO) or ethylene carbonate. The data were correlated with the UNIQUAC and NRTL equations. The partition coefficients and the selectivity factor of the solvents are calculated. Then, the selectivity of solvents for the extraction of aromatic hydrocarbons from alkanes has been compared. The phase diagrams for the ternary mixtures are presented and the correlated tie line results have been compared with the experimental data. The comparisons indicate the applicability of the UNIQUAC and NRTL activity coefficients model for liquid liquid equilibrium calculations of the studied mixtures.
Compounds
# Formula Name
1 C4H8O2S sulfolane
2 C8H10 1,3-dimethylbenzene
3 C7H16 heptane
4 C2H6OS dimethyl sulfoxide
5 C8H18 octane
6 C3H4O3 ethylene carbonate
7 C7H8 toluene
8 C6H12 cyclohexane
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
  • 2
  • 1
  • 3
  • Mass fraction - 1 ; Liquid mixture 1
  • Mass fraction - 1 ; Liquid mixture 2
  • Mass fraction - 2 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Mass fraction - 2; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • CHROM:UFactor:4
  • CHROM:UFactor:4
  • CHROM:UFactor:4
  • 8
  • POMD
  • 4
  • 2
  • 5
  • Mass fraction - 2 ; Liquid mixture 1
  • Mass fraction - 2 ; Liquid mixture 2
  • Mass fraction - 4 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Mass fraction - 4; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • CHROM:UFactor:4
  • CHROM:UFactor:4
  • CHROM:UFactor:4
  • 6
  • POMD
  • 6
  • 2
  • 8
  • Mass fraction - 6 ; Liquid mixture 1
  • Mass fraction - 6 ; Liquid mixture 2
  • Mass fraction - 2 ; Liquid mixture 2
  • Mass fraction - 2; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • CHROM:UFactor:4
  • CHROM:UFactor:4
  • CHROM:UFactor:4
  • 4
  • POMD
  • 6
  • 7
  • 3
  • Mass fraction - 6 ; Liquid mixture 1
  • Mass fraction - 6 ; Liquid mixture 2
  • Mass fraction - 7 ; Liquid mixture 2
  • Mass fraction - 7; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • CHROM:UFactor:4
  • CHROM:UFactor:4
  • CHROM:UFactor:4
  • 4
  • POMD
  • 6
  • 2
  • 3
  • Mass fraction - 6 ; Liquid mixture 1
  • Mass fraction - 6 ; Liquid mixture 2
  • Mass fraction - 2 ; Liquid mixture 2
  • Mass fraction - 2; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • CHROM:UFactor:4
  • CHROM:UFactor:4
  • CHROM:UFactor:4
  • 4
  • POMD
  • 6
  • 7
  • 5
  • Mass fraction - 6 ; Liquid mixture 1
  • Mass fraction - 6 ; Liquid mixture 2
  • Mass fraction - 7 ; Liquid mixture 2
  • Mass fraction - 7; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • CHROM:UFactor:4
  • CHROM:UFactor:4
  • CHROM:UFactor:4
  • 4
  • POMD
  • 6
  • 7
  • 8
  • Mass fraction - 7 ; Liquid mixture 2
  • Mass fraction - 7 ; Liquid mixture 1
  • Mass fraction - 6 ; Liquid mixture 1
  • Mass fraction - 6; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • CHROM:UFactor:4
  • CHROM:UFactor:4
  • CHROM:UFactor:4
  • 5