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

Experimental Measurement and Modeling of Vapor-Liquid Equilibrium for the Ternary System Water + 1-Propanol + Glycerol

Zhang, L.[Lianzhong], Wang, W.[Wenlin], Zhu, X.[Xiaoming], Zhang, Z.[Zheng]
J. Chem. Eng. Data 2016, 61, 4, 1637-1644
ABSTRACT
Vapor-liquid equilibrium (VLE) data were reported for the ternary system water + 1-propanol + glycerol at 100 kPa. The NRTL equation was used for the modeling of ternary VLE. Binary parameters of water + glycerol were fixed as the same for water + ethanol + glycerol and were taken from the literature. The ternary VLE data, together with literature results of binary VLE data and infinite dilution activity coefficients for water + 1-propanol, were used for the modeling. To extend the glycerol composition range and the temperature range, infinite dilution activity coefficients of 1-propanol in glycerol were measured in a temperature range of 313.15 K to 393.15 K, and were used in the modeling. The correlation provided good agreement for all the source data. It is shown that the infinite dilution activity coefficients provide key information for reliable correlation in a wide composition range. With the addition of glycerol, the azeotrope of water + 1-propanol can be removed at a glycerol mole fraction of 0.398, indicating that glycerol is potentially effective entrainer for dehydration of 1-propanol by extractive distillation. Comparisons were presented for the effect of glycerol on aqueous mixtures of ethanol, 2-propanol, and 1-propanol.
Compounds
# Formula Name
1 C3H8O propan-1-ol
2 C3H8O3 glycerol
3 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
  • 2
  • 1
  • 3
  • Mole fraction - 3 ; Gas
  • Temperature, K; Gas
  • Solvent: Mole fraction - 1; Liquid
  • Mass fraction - 2; Liquid
  • Gas
  • Liquid
  • chromatography and titration
  • 48
  • POMD
  • 2
  • 1
  • 3
  • Mole fraction - 1 ; Gas
  • Temperature, K; Gas
  • Solvent: Mole fraction - 1; Liquid
  • Mass fraction - 2; Liquid
  • Gas
  • Liquid
  • chromatography and titration
  • 48
  • POMD
  • 2
  • 1
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mole fraction - 1; Liquid
  • Mass fraction - 2; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 48