Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

Studying the Liquid-Liquid Equilibrium of Systems Water +2-Hydroxyethylammonium Propanoate or 2-Hydroxyethylammonium Butanoate or 2-Hydroxyethylammonium Pentanoate +1-Pentanol at 293.15, 313.15, and 333.15 K: Experimental Determination and Thermodynamic Modeling

Silva, Joao Paulo Silva e, Mattedi, Silvana, Santos, Geormenny Rocha dos
J. Chem. Eng. Data 2017, 62, 11, 3758-3768
ABSTRACT
Data on the liquid-liquid equilibrium (LLE) for the systems water + [2 HEA][Pr], [2 HEA][Bu] and [2 HEA][Pe] + 1-pentanol were determined at 293.15, 313.15, and 333.15 K and atmospheric pressure. Phase diagrams of the ternary systems were determined using the turbidimetric titration method and the tie-lines were quantified using the gravimetric method. Othmer-Tobias correlation confirms the quality of the experimental LLE data (R2 greater than 0.95). The NRTL (nonrandom two-liquid) and UNIQUAC (universal quasichemical) models were used to predict LLE data, with satisfactory results of root-mean-square deviations (RMSD) of each model at 1.55 and 1.90%, respectively.
Compounds
# Formula Name
1 C5H12O pentan-1-ol
2 H2O water
3 C5H13NO3 2-hydroxyethan-1-aminium propionate
4 C6H15NO3 2-hydroxy ethylammonium butanoate
5 C7H17NO3 2-hydroxy ethylammonium pentanoate
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
  • 3
  • 1
  • Mass fraction - 3 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Mass fraction - 2; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 78
  • POMD
  • 2
  • 3
  • 1
  • Mass fraction - 3 ; Liquid mixture 2
  • Mass fraction - 3 ; Liquid mixture 1
  • Mass fraction - 2 ; 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
  • Phase equilibration
  • Phase equilibration
  • Phase equilibration
  • 12
  • POMD
  • 2
  • 4
  • 1
  • Mass fraction - 4 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Mass fraction - 2; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 62
  • POMD
  • 2
  • 4
  • 1
  • Mass fraction - 4 ; Liquid mixture 1
  • Mass fraction - 4 ; 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
  • Phase equilibration
  • Phase equilibration
  • Phase equilibration
  • 12
  • POMD
  • 2
  • 5
  • 1
  • Mass fraction - 5 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Mass fraction - 2; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 57
  • POMD
  • 2
  • 5
  • 1
  • Mass fraction - 5 ; Liquid mixture 2
  • Mass fraction - 5 ; Liquid mixture 1
  • Mass fraction - 2 ; 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
  • Phase equilibration
  • Phase equilibration
  • Phase equilibration
  • 12
  • POMD
  • 2
  • 1
  • Mass fraction - 2 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 6