Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Salts effect on isobaric vapor-liquid equilibrium for separation of the azeotropic mixture allyl alcohol + water

Xu, Li, Xu, Dongmei, Shi, Puyun, Zhang, Kai, Ma, Xiaolong, Gao, Jun, Wang, Yinglong
Fluid Phase Equilib. 2018, 457, 11-17
ABSTRACT
Allyl alcohol and water can form an azeotrope with the minimum boiling point. To separate the azeotrope of allyl alcohol and water by salt distillation, three salts calcium chloride, calcium nitrate and magnesium nitrate were selected to break the azeotrope. The vapor-liquid equilibrium (VLE) data for the systems allyl alcohol + water, allyl alcohol + water + calcium nitrate, allyl alcohol + water + calcium chloride and allyl alcohol + water + magnesium nitrate were measured at pressure of 101.3 kPa. The results indicated that the relative volatility of allyl alcohol to water increased by adding the salts at the molar fraction of allyl alcohol higher than 0.2. With increasing the concentrations of the salts, the azeotropic point of the system allyl alcohol + water moved. When the concentrations of calcium chloride and magnesium nitrate were 0.10, 0.15, respectively, the azeotropic point was broken. The effect of salts on the azeotropic point of the system allyl alcohol + water follows the order: calcium chloride greater than magnesium nitrate greater than calcium nitrate. Moreover, the experimental VLE data were correlated by the NRTL model. All the root-mean-square deviations for the temperature and the mole fraction of the vapor phase between the measured and calculated data were less than 0.26 K and 0.005, respectively. Meanwhile, the binary interaction parameters of the NRTL model were regressed.
Compounds
# Formula Name
1 C3H6O 2-propenol
2 CaCl2 calcium chloride
3 CaN2O6 calcium nitrate
4 MgN2O6 magnesium nitrate
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
  • ARCHIM
  • 1
  • POMD
  • 1
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • 2AWJ refractometer
  • 1
  • POMD
  • 5
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • ARCHIM
  • 1
  • POMD
  • 5
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • 2AWJ refractometer
  • 1
  • POMD
  • 1
  • 5
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 21
  • POMD
  • 1
  • 5
  • Mole fraction - 1 ; Gas
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 21
  • POMD
  • 1
  • 5
  • 2
  • Boiling temperature at pressure P, K ; Liquid
  • Solvent: Mole fraction - 1; Liquid
  • Mass fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 30
  • POMD
  • 1
  • 5
  • 2
  • Mole fraction - 1 ; Gas
  • Solvent: Mole fraction - 1; Liquid
  • Mass fraction - 2; Liquid
  • Pressure, kPa; Gas
  • Gas
  • Liquid
  • Chromatography
  • 30
  • POMD
  • 1
  • 5
  • 2
  • Mole fraction - 2 ; Gas
  • Solvent: Mole fraction - 1; Liquid
  • Mass fraction - 2; Liquid
  • Pressure, kPa; Gas
  • Gas
  • Liquid
  • Chromatography
  • 30
  • POMD
  • 1
  • 5
  • 3
  • Boiling temperature at pressure P, K ; Liquid
  • Solvent: Mole fraction - 1; Liquid
  • Mass fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 30
  • POMD
  • 1
  • 5
  • 3
  • Mole fraction - 1 ; Gas
  • Solvent: Mole fraction - 1; Liquid
  • Mass fraction - 3; Liquid
  • Pressure, kPa; Gas
  • Gas
  • Liquid
  • Chromatography
  • 30
  • POMD
  • 1
  • 5
  • 3
  • Mole fraction - 3 ; Gas
  • Solvent: Mole fraction - 1; Liquid
  • Mass fraction - 3; Liquid
  • Pressure, kPa; Gas
  • Gas
  • Liquid
  • Chromatography
  • 30
  • POMD
  • 1
  • 5
  • 4
  • Boiling temperature at pressure P, K ; Liquid
  • Solvent: Mole fraction - 1; Liquid
  • Mass fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 29
  • POMD
  • 1
  • 5
  • 4
  • Mole fraction - 1 ; Gas
  • Solvent: Mole fraction - 1; Liquid
  • Mass fraction - 4; Liquid
  • Pressure, kPa; Gas
  • Gas
  • Liquid
  • Chromatography
  • 29
  • POMD
  • 1
  • 5
  • 4
  • Mole fraction - 4 ; Gas
  • Solvent: Mole fraction - 1; Liquid
  • Mass fraction - 4; Liquid
  • Pressure, kPa; Gas
  • Gas
  • Liquid
  • Chromatography
  • 29