Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Liquid-liquid equilibria for multicomponent mixtures of 2,2-dimethyl-1,3-dioxolane with n-heptane, toluene, ethanol and water

Kilina, A.[Alexandra], Kuranov, G.[George], Pukinsky, I.[Igor], Smirnova, N.[Natalia]
Fluid Phase Equilib. 2014, 380, 93-99
ABSTRACT
Liquid-liquid equilibria (LLE) data are presented for two quaternary systems: 2,2-dimethyl-1,3-dioxolane (DMD) + n-heptane (or toluene) + ethanol + water, and for three ternary subsystems:DMD + ethanol + water and DMD + n-heptane (or toluene) + water. The measurements were performed at 293.15 K and atmospheric pressure. The phase diagrams show extended heterogeneous areas for ternarysystems containing n-heptane (or toluene) and water, the region going from water hydrocarbon side of the concentration triangle to water DMD side. A much smaller region of immiscibility with the critical point is observed for ternary mixtures of DMD with water and ethanol. The experimental LLE datawere correlated and partly predicted applying the NRTL model. The UNIFAC interaction parameters for CH2O groups of dioxolane alkyl-derivatives were estimated. The model was applied to predict the LLE diagrams for ternary DMD + n-heptane (+toluene) + water solutions and for the quaternary systems containing ethanol. Both NRTL and UNIFAC models with reestimated parameters have provided satisfactory results.
Compounds
# Formula Name
1 C5H10O2 2,2-dimethyl-1,3-dioxolane
2 C7H16 heptane
3 C7H8 toluene
4 C2H6O ethanol
5 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
  • Mass density, kg/m3 ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 2
  • Mass density, kg/m3 ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 3
  • Mass density, kg/m3 ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 4
  • Mass density, kg/m3 ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 5
  • Mass density, kg/m3 ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 4
  • 1
  • 5
  • Mole fraction - 1 ; Liquid mixture 1
  • Mole fraction - 4; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 13
  • POMD
  • 4
  • 1
  • 5
  • Mole fraction - 4 ; Liquid mixture 2
  • Mole fraction - 4 ; Liquid mixture 1
  • Mole fraction - 1 ; Liquid mixture 1
  • Mole fraction - 1; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • Chromatography
  • Chromatography
  • 8
  • POMD
  • 2
  • 1
  • 5
  • Mole fraction - 1 ; Liquid mixture 1
  • Mole fraction - 2; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 12
  • POMD
  • 2
  • 1
  • 5
  • Mole fraction - 1 ; Liquid mixture 1
  • Mole fraction - 2; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • 6
  • POMD
  • 2
  • 1
  • 5
  • Mole fraction - 2 ; Liquid mixture 1
  • Mole fraction - 2 ; Liquid mixture 2
  • Mole fraction - 1 ; Liquid mixture 2
  • Mole fraction - 1; Liquid mixture 1
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • Chromatography
  • Chromatography
  • 6
  • POMD
  • 3
  • 1
  • 5
  • Mole fraction - 1 ; Liquid mixture 1
  • Mole fraction - 3; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 7
  • POMD
  • 3
  • 1
  • 5
  • Mole fraction - 1 ; Liquid mixture 1
  • Mole fraction - 3; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • 7
  • POMD
  • 3
  • 1
  • 5
  • Mole fraction - 3 ; Liquid mixture 2
  • Mole fraction - 3 ; Liquid mixture 1
  • Mole fraction - 1 ; Liquid mixture 1
  • Mole fraction - 1; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • Chromatography
  • Chromatography
  • 6