Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Liquid liquid equilibrium of ternary systems containing nicotine

Maduro, R. M.[Raquel M.], Aznar, M.[Martin]
Fluid Phase Equilib. 2007, 259, 1, 83-88
ABSTRACT
Liquid liquid equilibrium data for the ternary systems nicotine +water + cyclohexane and nicotine +water + 1-butanol were measured at 298.15, 303.15 and 313.15 K. The results show that cyclohexane is better than 1-butanol as a solvent for nicotine extraction. The experimental data were correlated through the well-known NRTL and UNIQUAC models for the activity coefficient, with estimation of new interaction energy parameters, using the simplex minimization method and a composition-based objective function. The results, analyzed in terms of root mean square deviations between experimental and calculated compositions, were considered satisfactory, with NRTL yielding a better representation of the equilibrium data for the studied systems.
Compounds
# Formula Name
1 C10H14N2 (-)-3-(N-methylpyrrolidino)pyridine
2 C6H12 cyclohexane
3 C4H10O butan-1-ol
4 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
  • 4
  • Mole fraction - 1 ; Liquid mixture 1
  • Mole fraction - 4 ; Liquid mixture 2
  • Mole fraction - 1 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Mole fraction - 4; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • spectroscopy and titration
  • spectroscopy and titration
  • spectroscopy and titration
  • 17
  • POMD
  • 1
  • 3
  • 4
  • Mole fraction - 1 ; Liquid mixture 1
  • Mole fraction - 1 ; Liquid mixture 2
  • Mole fraction - 4 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Mole fraction - 4; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • spectroscopy and titration
  • spectroscopy and titration
  • spectroscopy and titration
  • 18