Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Measurement and prediction of liquid-liquid equilibria in ternary systems containing water, an organic component, and cyclohexanol

Klauck, M.[Mandy], Deska, D.[David], Priemer, M.[Marie], Schmelzer, J.[Jurgen], Kalies, G.[Grit]
Fluid Phase Equilib. 2017, 435, 37-44
ABSTRACT
The liquid-liquid equilibria of the four ternary mixtures water + heptane + cyclohexanol, water + toluene + cyclohexanol, water + cyclohexane + cyclohexanol, and water + cyclohexylamine + cyclohexanol were measured at 298.15 K and 323.15 K at atmospheric pressure. The binodal curves were determined by photometric turbidity titration. Our experimental data are compared with the prediction results from both UNIQUAC and NRTL activity coefficient models and the equation of state proposed by Elliott, Suresh, and Donohue (ESD EOS). For this purpose, interaction parameters were determined using binary phase equilibrium data. Due to the sparse amount of binary equilibrium data in literature, the vapour-liquid equilibrium in the binary toluene + cyclohexanol system was determined at 333.15 K and 363.15 K at reduced pressure. When predicting the experimental LLE behaviour of the considered systems, ESD EOS seems to be superior to the UNIQUAC and NRTL approach.
Compounds
# Formula Name
1 H2O water
2 C7H16 heptane
3 C7H8 toluene
4 C6H12 cyclohexane
5 C6H13N cyclohexylamine
6 C6H12O cyclohexanol
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
  • 6
  • 2
  • 1
  • Mole fraction - 6 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Mole fraction - 2; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 20
  • POMD
  • 3
  • 6
  • 1
  • Mole fraction - 6 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Mole fraction - 3; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 26
  • POMD
  • 6
  • 4
  • 1
  • Mole fraction - 6 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Mole fraction - 4; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 22
  • POMD
  • 5
  • 6
  • 1
  • Mole fraction - 6 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Mole fraction - 5; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 30
  • POMD
  • 5
  • 6
  • 1
  • Mole fraction - 5 ; Liquid mixture 2
  • Mole fraction - 5 ; Liquid mixture 1
  • Mole fraction - 1 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Mole fraction - 1; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Titration method
  • Titration method
  • Titration method
  • 3
  • POMD
  • 3
  • 6
  • Mass density, kg/m3 ; Liquid
  • Mole fraction - 3; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 10