Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Phase diagrams of ionic liquids-based aqueous biphasic systems as a platform for extraction processes

Sintra, T. E.[Tania E.], Cruz, R.[Rafaela], Ventura, S. P. M.[Sonia P.M.], Coutinho, J. A. P.[Joao A.P.]
J. Chem. Thermodyn. 2014, 77, 206-213
ABSTRACT
In the past few years, ionic liquid-based aqueous biphasic systems have become the subject of considerable interest as a promising technique for the extraction and purification of several macro/biomolecules. Aiming at developing guidelines for more benign and efficient extraction processes, phase diagrams for aqueous biphasic systems composed of ionic liquids and inorganic/organic salts are here reported. Several combinations of ionic liquid families (imidazolium, pyridinium, phosphonium, quaternary ammonium and cholinium) and salts [potassium phosphate buffer (KH2PO4/K2HPO4 at pH 7), potassium citrate buffer (C6H5K3O7/C6H8O7 at pH 5, 6, 7 and 8) and potassium carbonate (K2CO3 at pH 13)] were evaluated to highlight the influence of the ionic liquid structure (cation core, anion and alkyl chain length), the pH and the salt nature on the formation of aqueous biphasic systems. The binodal curves and respective tie-lines reported for these systems were experimentally determined at (298 +- 1) K. In general, the ability to promote the aqueous biphasic systems formation increases with the pH and alkyl chain length. While the influence of the cation core and anion nature of the ionic liquids on their ability to form aqueous biphasic systems closely correlates with ionic liquids capacity to be hydrated by water, the effect of the different salts depends of the ionic liquid nature and salt valency.
Compounds
# Formula Name
1 C8H20ClN tetraethylammonium chloride
2 C12H28ClN tetrapropylammonium chloride
3 C12H28BrN tetrapropylammonium bromide
4 C16H36ClN tetrabutylammonium chloride
5 C16H36BrN tetrabutylammonium bromide
6 C12H19NO4 cholinium salicylate
7 C11H18ClNO benzyl(2-hydroxyethyl)dimethylammonium chloride
8 C16H36ClP tetrabutylphosphonium chloride
9 C16H36BrP tetrabutylphosphonium bromide
10 C14H33O4PS tributylmethylphosphonium methyl sulfate
11 C20H37O3PS triisobutylmethylphosphonium p-toluenesulfonate
12 H2O water
13 CK2O3 potassium carbonate
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
  • 13
  • 3
  • 12
  • Mass fraction - 3 ; Liquid mixture 1
  • Mass fraction - 13; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 111
  • POMD
  • 13
  • 3
  • 12
  • Mass fraction - 13 ; Liquid mixture 1
  • Mass fraction - 13 ; Liquid mixture 2
  • Mass fraction - 3 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Mass fraction - 3; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • gravimetric, from binodal data
  • gravimetric, from binodal data
  • gravimetric, from binodal data
  • 1
  • POMD
  • 13
  • 5
  • 12
  • Mass fraction - 5 ; Liquid mixture 1
  • Mass fraction - 13; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 70
  • POMD
  • 13
  • 5
  • 12
  • Mass fraction - 13 ; Liquid mixture 1
  • Mass fraction - 5 ; Liquid mixture 2
  • Mass fraction - 13 ; Liquid mixture 2
  • Mass fraction - 5; Liquid mixture 1
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • gravimetric, from binodal data
  • gravimetric, from binodal data
  • gravimetric, from binodal data
  • 2
  • POMD
  • 1
  • 13
  • 12
  • Mass fraction - 1 ; Liquid mixture 1
  • Mass fraction - 13; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 76
  • POMD
  • 1
  • 13
  • 12
  • Mass fraction - 13 ; Liquid mixture 1
  • Mass fraction - 1 ; Liquid mixture 2
  • Mass fraction - 13 ; Liquid mixture 2
  • Mass fraction - 1; Liquid mixture 1
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • gravimetric, from binodal data
  • gravimetric, from binodal data
  • gravimetric, from binodal data
  • 2
  • POMD
  • 13
  • 4
  • 12
  • Mass fraction - 4 ; Liquid mixture 1
  • Mass fraction - 13; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 126
  • POMD
  • 13
  • 4
  • 12
  • Mass fraction - 13 ; Liquid mixture 1
  • Mass fraction - 4 ; Liquid mixture 2
  • Mass fraction - 13 ; Liquid mixture 2
  • Mass fraction - 4; Liquid mixture 1
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • gravimetric, from binodal data
  • gravimetric, from binodal data
  • gravimetric, from binodal data
  • 2
  • POMD
  • 13
  • 12
  • 10
  • Mass fraction - 10 ; Liquid mixture 1
  • Mass fraction - 13; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 67
  • POMD
  • 13
  • 12
  • 10
  • Mass fraction - 13 ; Liquid mixture 2
  • Mass fraction - 13 ; Liquid mixture 1
  • Mass fraction - 10 ; Liquid mixture 1
  • Mass fraction - 10; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • gravimetric, from binodal data
  • gravimetric, from binodal data
  • gravimetric, from binodal data
  • 2
  • POMD
  • 13
  • 12
  • 11
  • Mass fraction - 11 ; Liquid mixture 1
  • Mass fraction - 13; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 55
  • POMD
  • 13
  • 12
  • 11
  • Mass fraction - 13 ; Liquid mixture 1
  • Mass fraction - 13 ; Liquid mixture 2
  • Mass fraction - 11 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Mass fraction - 11; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • gravimetric, from binodal data
  • gravimetric, from binodal data
  • gravimetric, from binodal data
  • 1
  • POMD
  • 13
  • 8
  • 12
  • Mass fraction - 8 ; Liquid mixture 1
  • Mass fraction - 13; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 98
  • POMD
  • 13
  • 8
  • 12
  • Mass fraction - 13 ; Liquid mixture 2
  • Mass fraction - 13 ; Liquid mixture 1
  • Mass fraction - 8 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Mass fraction - 8; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • gravimetric, from binodal data
  • gravimetric, from binodal data
  • gravimetric, from binodal data
  • 1
  • POMD
  • 13
  • 9
  • 12
  • Mass fraction - 9 ; Liquid mixture 1
  • Mass fraction - 13; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 45
  • POMD
  • 13
  • 9
  • 12
  • Mass fraction - 13 ; Liquid mixture 1
  • Mass fraction - 13 ; Liquid mixture 2
  • Mass fraction - 9 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Mass fraction - 9; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • gravimetric, from binodal data
  • gravimetric, from binodal data
  • gravimetric, from binodal data
  • 1
  • POMD
  • 13
  • 6
  • 12
  • Mass fraction - 6 ; Liquid mixture 1
  • Mass fraction - 13; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 82
  • POMD
  • 13
  • 6
  • 12
  • Mass fraction - 13 ; Liquid mixture 2
  • Mass fraction - 13 ; Liquid mixture 1
  • Mass fraction - 6 ; Liquid mixture 1
  • Mass fraction - 6; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • gravimetric, from binodal data
  • gravimetric, from binodal data
  • gravimetric, from binodal data
  • 2
  • POMD
  • 13
  • 7
  • 12
  • Mass fraction - 7 ; Liquid mixture 1
  • Mass fraction - 13; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 97
  • POMD
  • 13
  • 7
  • 12
  • Mass fraction - 13 ; Liquid mixture 1
  • Mass fraction - 7 ; Liquid mixture 2
  • Mass fraction - 13 ; Liquid mixture 2
  • Mass fraction - 7; Liquid mixture 1
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • gravimetric, from binodal data
  • gravimetric, from binodal data
  • gravimetric, from binodal data
  • 2
  • POMD
  • 13
  • 2
  • 12
  • Mass fraction - 2 ; Liquid mixture 1
  • Mass fraction - 13; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 83
  • POMD
  • 13
  • 2
  • 12
  • Mass fraction - 13 ; Liquid mixture 1
  • Mass fraction - 2 ; Liquid mixture 2
  • Mass fraction - 13 ; Liquid mixture 2
  • Mass fraction - 2; Liquid mixture 1
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • gravimetric, from binodal data
  • gravimetric, from binodal data
  • gravimetric, from binodal data
  • 2