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

Salt Effect on Ethanol-Based Aqueous Biphasic Systems Applied to Alkaloids Partition: An Experimental and Theoretical Approach

Toledo, Mateus Oltramari, Farias, Fabiane Oliveira, Igarashi-Mafra, Luciana, Mafra, Marcos R.
J. Chem. Eng. Data 2019, 64, 5, 2018-2026
ABSTRACT
Aqueous biphasic systems (ABS) based on alcohol-salt are of signi cant interest be- cause of their low cost and environmental impact, as well as their higher selectivity and fast phase segregation, when compared to a polymer-salt ABS. The salt e ect was eval- uated in ethanol-based aqueous biphasic systems using ve di erent salts (NaH2PO4, K2HPO4, K3PO4, K2CO3 or K3C6H5O7) at 298.15 K and atmospheric pressure. The results suggest that both cation and anion nature present in uence on liquid-liquid equilibrium (LLE). In order to describe experimental LLE data, NRTL model was used to adjust the experimental data, which has shown a good t (rmsdless than0.68%). Salt in- uence in ABS and its partition ability was accounted by phase diagrams, as well as a partition study using nicotine and ca eine. Results have shown high partition yield and high selectivity.
Compounds
# Formula Name
1 C2H6O ethanol
2 H2NaO4P sodium dihydrogen phosphate
3 HK2O4P dipotassium hydrogen phosphate
4 K3O4P tripotassium phosphate
5 CK2O3 potassium carbonate
6 C6H5K3O7 potassium citrate
7 H2O water
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
  • 2
  • 7
  • Mass fraction - 1 ; Liquid mixture 2
  • Mass fraction - 2 ; Liquid mixture 1
  • Mass fraction - 1 ; Liquid mixture 1
  • Mass fraction - 2; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Phase equilibration
  • Phase equilibration
  • Phase equilibration
  • 6
  • POMD
  • 1
  • 2
  • 7
  • Mass fraction - 1 ; Liquid mixture 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
  • 31
  • POMD
  • 1
  • 3
  • 7
  • Mass fraction - 1 ; Liquid mixture 1
  • Mass fraction - 3 ; Liquid mixture 2
  • Mass fraction - 1 ; Liquid mixture 2
  • Mass fraction - 3; Liquid mixture 1
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Phase equilibration
  • Phase equilibration
  • Phase equilibration
  • 6
  • POMD
  • 1
  • 3
  • 7
  • Mass fraction - 1 ; Liquid mixture 1
  • Mass fraction - 3; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 42
  • POMD
  • 1
  • 4
  • 7
  • Mass fraction - 1 ; Liquid mixture 1
  • Mass fraction - 4 ; Liquid mixture 2
  • Mass fraction - 1 ; 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
  • Phase equilibration
  • Phase equilibration
  • Phase equilibration
  • 6
  • POMD
  • 1
  • 4
  • 7
  • Mass fraction - 1 ; Liquid mixture 1
  • Mass fraction - 4; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 26
  • POMD
  • 1
  • 5
  • 7
  • Mass fraction - 1 ; Liquid mixture 1
  • Mass fraction - 5 ; Liquid mixture 2
  • Mass fraction - 1 ; 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
  • Phase equilibration
  • Phase equilibration
  • Phase equilibration
  • 6
  • POMD
  • 1
  • 5
  • 7
  • Mass fraction - 1 ; Liquid mixture 1
  • Mass fraction - 5; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 36
  • POMD
  • 1
  • 6
  • 7
  • Mass fraction - 1 ; Liquid mixture 1
  • Mass fraction - 6 ; Liquid mixture 2
  • Mass fraction - 1 ; Liquid mixture 2
  • Mass fraction - 6; Liquid mixture 1
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Phase equilibration
  • Phase equilibration
  • Phase equilibration
  • 6
  • POMD
  • 1
  • 6
  • 7
  • Mass fraction - 1 ; Liquid mixture 1
  • Mass fraction - 6; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 34