Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Phase equilibria for ternary liquid systems of (water + tetrahydrofuran + nonprotic aromatic solvent) at T = 298.2 K

Senol, A.[Aynur], Sevgili, L.[Lutfullah]
J. Chem. Thermodyn. 2006, 38, 5, 578-584
ABSTRACT
(Liquid + liquid) equilibrium (LLE) data of the solubility curves and tie-line end compositions are presented for mixtures of {water (1) + tetrahydrofuran (2) + xylene or chlorobenzene or benzyl ether (3)} at T = 298.2 K and P = (101.3 +- 0.7) kPa. Among the studied C6 ring-containing aromatic solvents, xylene gives the largest distribution ratio and separation factors for extraction of tetrahydrofuran. A solvation energy relation (SERLAS) has been used to estimate the (liquid + liquid) equilibria of associated systems containing a nonprotic solvent. The tie-lines were also predicted using the UNIFAC-original model. The reliability of both models has been analyzed against the LLE data with respect to the distribution ratio and separation factor. SERLAS matches LLE data accurately, yielding a mean error of 9.9% for all the systems considered.
Compounds
# Formula Name
1 C6H5Cl chlorobenzene
2 H2O water
3 C14H14O dibenzyl ether
4 C4H8O tetrahydrofuran
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 fraction - 2 ; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • TITR:UFactor:2
  • 1
  • POMD
  • 1
  • 2
  • Mass fraction - 2 ; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • TITR:UFactor:8
  • 1
  • POMD
  • 3
  • 2
  • Mass fraction - 2 ; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • TITR:UFactor:2
  • 1
  • POMD
  • 3
  • 2
  • Mass fraction - 2 ; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • TITR:UFactor:2
  • 1
  • POMD
  • 1
  • 4
  • 2
  • Mass fraction - 2 ; Liquid mixture 2
  • Mass fraction - 4 ; Liquid mixture 1
  • Mass fraction - 2 ; Liquid mixture 1
  • Mass fraction - 4; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • TITR:UFactor:2
  • TITR:UFactor:2
  • TITR:UFactor:2
  • 6
  • POMD
  • 3
  • 4
  • 2
  • Mass fraction - 2 ; Liquid mixture 2
  • Mass fraction - 4 ; Liquid mixture 1
  • Mass fraction - 2 ; Liquid mixture 1
  • Mass fraction - 4; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • TITR:UFactor:2
  • TITR:UFactor:2
  • TITR:UFactor:2
  • 6