Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Isothermal (vapour + liquid) equilibrium of (cyclic ethers + chlorohexane) mixtures: Experimental results and SAFT modelling

Bandres, I., Giner, B., Lopez, M. C., Artigas, H., Lafuente, C.
J. Chem. Thermodyn. 2008, 40, 8, 1253-1260
ABSTRACT
Experimental data for the isothermal (vapour + liquid) equilibrium of mixtures formed by several cyclic ethers (tetrahydrofuran, tetrahydropyran, 1,3-dioxolane, and 1,4-dioxane) and chlorohexane at temperatures of (298.15 and 328.15) K are presented. Experimental results have been discussed in terms of both, molecular characteristics of pure compounds and potential intermolecular interaction between them using thermodynamic information of the mixtures obtained earlier. Furthermore, the influence of the temperature on the (vapour + liquid) equilibrium of these mixtures has been explored and discussed. Transferable parameters of the SAFT-VR approach together with standard combining rules have been used to model the phase equilibrium of the mixtures and a description of the (vapour + liquid) equilibrium of them that is in excellent agreement with the experimental data are provided.
Compounds
# Formula Name
1 C3H6O2 1,3-dioxolane
2 C4H8O2 1,4-dioxane
3 C6H13Cl 1-chlorohexane
4 C4H8O tetrahydrofuran
5 C5H10O tetrahydropyran
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
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • EBULLIO:UFactor:16
  • 2
  • POMD
  • 1
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:6
  • 2
  • POMD
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • EBULLIO:UFactor:16
  • 2
  • POMD
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:6
  • 2
  • POMD
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • EBULLIO:UFactor:16
  • 2
  • POMD
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:1
  • 2
  • POMD
  • 4
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • EBULLIO:UFactor:16
  • 2
  • POMD
  • 4
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:4
  • 2
  • POMD
  • 5
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • EBULLIO:UFactor:16
  • 2
  • POMD
  • 5
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:6
  • 2
  • POMD
  • 4
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • EBULLIO:UFactor:4
  • 29
  • POMD
  • 4
  • 3
  • Mole fraction - 4 ; Gas
  • Mole fraction - 4; Liquid
  • Temperature, K; Gas
  • Gas
  • Liquid
  • Density calibration data
  • 29
  • POMD
  • 5
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 5; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • EBULLIO:UFactor:4
  • 29
  • POMD
  • 5
  • 3
  • Mole fraction - 5 ; Gas
  • Mole fraction - 5; Liquid
  • Temperature, K; Gas
  • Gas
  • Liquid
  • Density calibration data
  • 29
  • POMD
  • 3
  • 1
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • EBULLIO:UFactor:4
  • 31
  • POMD
  • 3
  • 1
  • Mole fraction - 1 ; Gas
  • Mole fraction - 1; Liquid
  • Temperature, K; Gas
  • Gas
  • Liquid
  • Density calibration data
  • 31
  • POMD
  • 2
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 2; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • EBULLIO:UFactor:4
  • 29
  • POMD
  • 2
  • 3
  • Mole fraction - 2 ; Gas
  • Mole fraction - 2; Liquid
  • Temperature, K; Gas
  • Gas
  • Liquid
  • Density calibration data
  • 29