Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Liquid liquid equilibria of the ternary system water + acetic acid + dimethyl adipate

Ince, E.[Erol]
Fluid Phase Equilib. 2005, 230, 1-2, 58-63
ABSTRACT
Liquid liquid equilibrium (LLE) data of water + acetic acid + dimethyl adipate have been determined experimentally at 298.15, 308.15 and 318.15 K. Complete phase diagrams were obtained by determining binodal curve and tie-lines. The reliability of the experimental tie-line data was confirmed by using the Othmer-Tobias correlation. UNIFAC and modified UNIFAC models were used to predict the phase equilibrium in the system using the interaction parameters determined from experimental data of CH2, CH3 COO, CH3, COOH, and H2O functional groups. Distribution coefficients and separation factors were evaluated for the immiscibility region.
Compounds
# Formula Name
1 H2O water
2 C2H4O2 acetic acid
3 C8H14O4 dimethyl 1,6-hexanedioate
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
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 2
  • Normal boiling temperature, K ; Liquid
  • Liquid
  • Gas
  • Fischer boiling point apparatus
  • 1
  • POMD
  • 2
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:4
  • 1
  • POMD
  • 3
  • Normal boiling temperature, K ; Liquid
  • Liquid
  • Gas
  • Fischer boiling point apparatus
  • 1
  • POMD
  • 3
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:4
  • 1
  • POMD
  • 3
  • 1
  • Mole fraction - 3 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • CHROM:UFactor:8
  • 3
  • POMD
  • 3
  • 1
  • Mole fraction - 1 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • CHROM:UFactor:8
  • 3
  • POMD
  • 2
  • 3
  • 1
  • Mole fraction - 2 ; Liquid mixture 1
  • Mole fraction - 2 ; Liquid mixture 2
  • Mole fraction - 1 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Mole fraction - 1; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • CHROM:UFactor:8
  • CHROM:UFactor:8
  • CHROM:UFactor:8
  • 15
  • POMD
  • 2
  • 3
  • 1
  • Mole fraction - 2 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Mole fraction - 1; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • CHROM:UFactor:8
  • 36