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

Liquid-Liquid Equilibrium and Extraction Performance of Aqueous Biphasic Systems Composed of Water, Cholinium Carboxylate Ionic Liquids and K2CO3

Almeida, M. R.[Mafalda R.], Belchior, D. C. V.[Diana C. V.], Carvalho, P. J.[Pedro J.], Freire, M. G.[Mara G.]
J. Chem. Eng. Data 2019, 64, 11, 4946-4955
ABSTRACT
Page 2 of 26 Ionic-liquid-based aqueous biphasic systems (IL-based ABS) have been broadly investigated for the separation of high-value compounds. Nevertheless, the large-scale application of IL-based ABS is still hampered by the high cost and hazardous features of most used ILs. Aiming at characterizing novel ABS composed of ILs with a more acceptable environmental footprint and enhanced biocompatibility, in this work, ABS formed by water, cholinium carboxylate ILs ([Ch][CnCO2], with n = 2 to 6) and K2CO3 were investigated. The respective ternary phase diagrams, including binodal curves, tielines, and critical points, were determined at (298 1) K and atmospheric pressure. The capability to form ABS (or of the IL to be salted-out) increased with the increase of the alkyl chain length of the IL anion up to cholinium pentanoate; however, for longer anion alkyl chain lengths the ILs self-aggregation led to a decrease of the ILs ability to form ABS. Furthermore, the liquid-liquid equilibrium data experimentally determined were modeled using the local composition activity model NRTL (Non-Random Two Liquid). The extraction performance of these systems was finally evaluated with four nitrogenous bases (thymine, adenine, guanine, cytosine). In all studied systems nitrogenous bases preferentially migrated to the IL-rich phase, with extraction efficiencies ranging between 81% and 97% in a single-step. The novel determined phase diagrams allow to infer the mixtures compositions required to use IL-based ABS as separation routes, while their extraction performance evaluation with nitrogenous bases provides indication on their possible application to separate high-value compounds with biotechnological interest.
Compounds
# Formula Name
1 CK2O3 potassium carbonate
2 H2O water
3 C8H19NO3 cholinium propanoate
4 C9H21NO3 choline butanoate
5 C10H23NO3 cholinium pentanoate
6 C11H25NO3 2-hydroxy-N,N,N-trimethylethanaminium hexanoate
7 C12H27NO3 cholinium heptanoate
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
  • 3
  • 2
  • Mass fraction - 3 ; Liquid mixture 1
  • Mass fraction - 1; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 18
  • POMD
  • 1
  • 3
  • 2
  • Mass fraction - 3 ; Liquid mixture 2
  • Mass fraction - 1 ; Liquid mixture 1
  • Mass fraction - 3 ; Liquid mixture 1
  • Mass fraction - 1; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Phase equilibration
  • Phase equilibration
  • Phase equilibration
  • 3
  • POMD
  • 1
  • 4
  • 2
  • Mass fraction - 4 ; Liquid mixture 1
  • Mass fraction - 1; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 64
  • POMD
  • 1
  • 4
  • 2
  • Mass fraction - 4 ; Liquid mixture 2
  • Mass fraction - 1 ; Liquid mixture 1
  • Mass fraction - 4 ; Liquid mixture 1
  • Mass fraction - 1; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Phase equilibration
  • Phase equilibration
  • Phase equilibration
  • 3
  • POMD
  • 1
  • 5
  • 2
  • Mass fraction - 5 ; Liquid mixture 1
  • Mass fraction - 1; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 56
  • POMD
  • 1
  • 5
  • 2
  • Mass fraction - 5 ; Liquid mixture 2
  • Mass fraction - 1 ; Liquid mixture 1
  • Mass fraction - 5 ; Liquid mixture 1
  • Mass fraction - 1; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Phase equilibration
  • Phase equilibration
  • Phase equilibration
  • 3
  • POMD
  • 1
  • 6
  • 2
  • Mass fraction - 6 ; Liquid mixture 1
  • Mass fraction - 1; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 56
  • POMD
  • 1
  • 6
  • 2
  • Mass fraction - 6 ; Liquid mixture 2
  • Mass fraction - 1 ; Liquid mixture 1
  • Mass fraction - 6 ; Liquid mixture 1
  • Mass fraction - 1; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Phase equilibration
  • Phase equilibration
  • Phase equilibration
  • 3
  • POMD
  • 1
  • 7
  • 2
  • Mass fraction - 7 ; Liquid mixture 1
  • Mass fraction - 1; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 78
  • POMD
  • 1
  • 7
  • 2
  • Mass fraction - 7 ; Liquid mixture 2
  • Mass fraction - 7 ; Liquid mixture 1
  • Mass fraction - 1 ; Liquid mixture 1
  • Mass fraction - 1; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Phase equilibration
  • Phase equilibration
  • Phase equilibration
  • 3