Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Experimental and modeling study of liquid phase equilibria for (water + phosphoric acid + sec-alcohols) systems

Gilani, A. Ghanadzadeh, Ahmadifar, S., Taki, T.
J. Chem. Thermodyn. 2019, 135, 305-315
ABSTRACT
The present study is focused on determination of the liquid-liquid equilibrium (LLE) data for (water + phosphoric acid + 2-pentanol or 4-methyl-2-pentanol) ternary systems at T = (298.2, 308.2, and 318.2) K and p = 0.1 Mpa. Despite of the structural similarity of the chosen sec-alcohols, their polarity and hydrophobicity are different. Thus, the influence of the chemical structure as well as temperatures on the liquid phase behaviour was investigated. Solubility and tie line data were measured using different titration methods such as cloud point, acidimetric, and the Karl Fisher titration techniques. The refractive index measurements were also carried out on the aqueous phase. The experimental tie line data were correlated using the thermodynamic models of NRTL and UNIQUAC. The binary interaction parameters were optimized by the MATLAB fminsearch function. Both the ternary systems exhibit type-1 phase behavior. The quality of the tie-lines was checked using the Othmer-Tobias equation. Distribution coefficients and separation factors were calculated over the biphasic regions.
Compounds
# Formula Name
1 C5H12O pentan-2-ol
2 C6H14O 4-methyl-2-pentanol
3 H2O water
4 H3O4P phosphoric acid
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
  • 1
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 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
  • Vibrating tube method
  • 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
  • Vibrating tube method
  • 1
  • POMD
  • 4
  • 3
  • Refractive index (Na D-line) ; Liquid
  • Mass fraction - 4; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 4
  • 3
  • Mass density, kg/m3 ; Liquid
  • Mass fraction - 4; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 1
  • 4
  • 3
  • Mass fraction - 4 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Mass fraction - 3; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 54
  • POMD
  • 1
  • 4
  • 3
  • Mass fraction - 3 ; Liquid mixture 2
  • Mass fraction - 4 ; Liquid mixture 1
  • Mass fraction - 3 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Mass fraction - 4; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Titration method
  • Titration method
  • Titration method
  • 18
  • POMD
  • 2
  • 4
  • 3
  • Mass fraction - 4 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Mass fraction - 3; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 54
  • POMD
  • 2
  • 4
  • 3
  • Mass fraction - 3 ; Liquid mixture 2
  • Mass fraction - 4 ; Liquid mixture 1
  • Mass fraction - 3 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Mass fraction - 4; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Titration method
  • Titration method
  • Titration method
  • 18
  • POMD
  • 1
  • 3
  • Mass fraction - 3 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 6
  • POMD
  • 2
  • 3
  • Mass fraction - 3 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 6