Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Liquid liquid equilibria measurements of ternary systems (acetonitrile + a carboxylic acid + dodecane) at 303.15 K

Redhi, G. G., Bahadur, I., Xhakaza, N. M.
Fluid Phase Equilib. 2015, 388, 1-5
ABSTRACT
Liquid liquid equilibrium (LLE) data are reported for the ternary mixtures of (acetonitrile + a carboxylic acid + dodecane) at 303.15 K under atmospheric pressure, where a carboxylic acid refers to acetic acid, propanoic acid, butanoic acid, 2-methylpropanoic acid, pentanoic acid and 3-methylbutanoic acid. The area of the two-phase heterogeneous region for the carboxylic acid mixtures decreases in the order: acetic acid greater than propanoic acid greater than butanoic acid greater than 2-methylbutanoic acid greater than pentanoic acid greater than 3-methylbutanoic acid. The relative mutual solubility of each of the carboxylic acids is higher in acetonitrile layer than in dodecane layer. Three 3-parameter equations have been fitted to the binodal curve data. The NRTL and UNIQUAC models were used to correlate the experimental data. The NRTL model fitted the experimental data far better than the UNIQUAC model with the average mean square deviation of 0.0030 mole fraction as compared to 0.2870 mole fraction for UNIQUAC. Selectivity values for solvent separation efficiency were calculated from the tie-line data and show that separation of carboxylic acids from dodecane is feasible by extraction with acetonitrile.
Compounds
# Formula Name
1 C2H4O2 acetic acid
2 C3H6O2 propanoic acid
3 C4H8O2 butanoic acid
4 C4H8O2 2-methylpropanoic acid
5 C5H10O2 pentanoic acid
6 C5H10O2 3-methylbutanoic acid
7 C12H26 dodecane
8 C2H3N acetonitrile
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
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 3
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 4
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 5
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 6
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 7
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 8
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 1
  • 8
  • 7
  • Mole fraction - 1 ; Liquid mixture 1
  • Mole fraction - 8; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 17
  • POMD
  • 1
  • 8
  • 7
  • Mole fraction - 1 ; Liquid mixture 2
  • Mole fraction - 8 ; Liquid mixture 1
  • Mole fraction - 1 ; Liquid mixture 1
  • Mole fraction - 8; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Index of refraction calibration data
  • Index of refraction calibration data
  • Index of refraction calibration data
  • 5
  • POMD
  • 1
  • 8
  • 7
  • Refractive index (Na D-line) ; Liquid
  • Mole fraction - 8; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 10
  • POMD
  • 8
  • 2
  • 7
  • Mole fraction - 2 ; Liquid mixture 1
  • Mole fraction - 8; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 15
  • POMD
  • 8
  • 2
  • 7
  • Mole fraction - 2 ; Liquid mixture 2
  • Mole fraction - 8 ; Liquid mixture 1
  • Mole fraction - 2 ; Liquid mixture 1
  • Mole fraction - 8; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Index of refraction calibration data
  • Index of refraction calibration data
  • Index of refraction calibration data
  • 5
  • POMD
  • 8
  • 2
  • 7
  • Refractive index (Na D-line) ; Liquid
  • Mole fraction - 8; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 10
  • POMD
  • 8
  • 3
  • 7
  • Mole fraction - 3 ; Liquid mixture 1
  • Mole fraction - 8; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 17
  • POMD
  • 8
  • 3
  • 7
  • Mole fraction - 3 ; Liquid mixture 2
  • Mole fraction - 8 ; Liquid mixture 1
  • Mole fraction - 3 ; Liquid mixture 1
  • Mole fraction - 8; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Index of refraction calibration data
  • Index of refraction calibration data
  • Index of refraction calibration data
  • 5
  • POMD
  • 8
  • 3
  • 7
  • Refractive index (Na D-line) ; Liquid
  • Mole fraction - 8; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 10
  • POMD
  • 8
  • 4
  • 7
  • Mole fraction - 4 ; Liquid mixture 1
  • Mole fraction - 8; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 12
  • POMD
  • 8
  • 4
  • 7
  • Refractive index (Na D-line) ; Liquid
  • Mole fraction - 8; Liquid
  • Mole fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 10
  • POMD
  • 8
  • 4
  • 7
  • Mole fraction - 4 ; Liquid mixture 2
  • Mole fraction - 4 ; Liquid mixture 1
  • Mole fraction - 8 ; Liquid mixture 1
  • Mole fraction - 8; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Index of refraction calibration data
  • Index of refraction calibration data
  • Index of refraction calibration data
  • 5
  • POMD
  • 8
  • 5
  • 7
  • Mole fraction - 5 ; Liquid mixture 1
  • Mole fraction - 8; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 14
  • POMD
  • 8
  • 5
  • 7
  • Refractive index (Na D-line) ; Liquid
  • Mole fraction - 8; Liquid
  • Mole fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 8
  • POMD
  • 8
  • 5
  • 7
  • Mole fraction - 5 ; Liquid mixture 2
  • Mole fraction - 8 ; Liquid mixture 1
  • Mole fraction - 5 ; Liquid mixture 1
  • Mole fraction - 8; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Index of refraction calibration data
  • Index of refraction calibration data
  • Index of refraction calibration data
  • 4
  • POMD
  • 8
  • 7
  • 6
  • Mole fraction - 6 ; Liquid mixture 1
  • Mole fraction - 8; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 14
  • POMD
  • 8
  • 7
  • 6
  • Mole fraction - 6 ; Liquid mixture 2
  • Mole fraction - 8 ; Liquid mixture 1
  • Mole fraction - 6 ; Liquid mixture 1
  • Mole fraction - 8; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Index of refraction calibration data
  • Index of refraction calibration data
  • Index of refraction calibration data
  • 5
  • POMD
  • 8
  • 7
  • 6
  • Refractive index (Na D-line) ; Liquid
  • Mole fraction - 8; Liquid
  • Mole fraction - 6; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 10