Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Liquid-liquid equilibria for ternary mixtures of 2,2-dimethyl-1,3-dioxolane-4-methanol with n-heptane, toluene, ethanol and water

Yakovleva, M.[Marina], Vorobyov, E.[Eugeny], Pukinsky, I.[Igor], Prikhodko, I.[Igor], Kuranov, G.[George], Smirnova, N.[Natalia]
Fluid Phase Equilib. 2015, 405, 107-113
ABSTRACT
Liquid-liquid equilibria (LLE) data are presented for three ternary systems: 2,2-dimethyl-1,3-dioxolane- 4-methanol (DMDM) + n-heptane + ethanol, and DMDM + n-heptane (or toluene) + water. The most of the measurements were performed at 293.15K and atmospheric pressure, some data obtained relate to 273.15K. The phase diagrams for the ternary system containing n-heptane and water show the extended heterogeneous area between the water hydrocarbon side of the concentration triangle and the n-heptane-DMDM side. Much smaller regions of immiscibility with the critical points are observed for the ternary mixtures DMDM + toluene + water and DMDM + n-heptane + ethanol. The experimental LLE data were correlated applying the NRTL model. The UNIFAC interaction parameters for CH2O groups of DMDM were estimated on the base of LLE in the DMDM + n-heptane + ethanol system. The UNIFAC model was applied to predict the LLE diagrams for ternary DMDM + n-heptane (or toluene) + water solutions. Both NRTL and UNIFAC models with the estimated parameters have provided satisfactory results.
Compounds
# Formula Name
1 C6H12O3 2,2-dimethyl-1,3-dioxolane-4-methanol
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
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 1
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 2
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 3
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 4
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 4
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 5
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 5
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 4
  • 1
  • 2
  • Mole fraction - 2 ; Liquid mixture 1
  • Mole fraction - 1 ; Liquid mixture 2
  • Mole fraction - 2 ; 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
  • Index of refraction calibration data
  • Index of refraction calibration data
  • Index of refraction calibration data
  • 6
  • POMD
  • 4
  • 1
  • 2
  • Mole fraction - 1 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Mole fraction - 2; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Isothermal Titration
  • 22
  • POMD
  • 1
  • 2
  • 5
  • Mole fraction - 2 ; Liquid mixture 1
  • Mole fraction - 1 ; Liquid mixture 2
  • Mole fraction - 2 ; 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
  • Index of refraction calibration data
  • Index of refraction calibration data
  • Index of refraction calibration data
  • 5
  • POMD
  • 1
  • 2
  • 5
  • Mole fraction - 2 ; Liquid mixture 1
  • Mole fraction - 1; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Isothermal Titration
  • 18
  • POMD
  • 1
  • 3
  • 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
  • Pressure, kPa; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Index of refraction calibration data
  • Index of refraction calibration data
  • Index of refraction calibration data
  • 6
  • POMD
  • 1
  • 3
  • 5
  • Mole fraction - 3 ; Liquid mixture 1
  • Mole fraction - 1; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Isothermal Titration
  • 10
  • POMD
  • 1
  • 2
  • Mole fraction - 1 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Isothermal Titration
  • 4
  • POMD
  • 1
  • 2
  • Mole fraction - 2 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Isothermal Titration
  • 1