Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Phase behaviour of binary systems of lactones in carbon dioxide

Bender, J. P.[Joao P], Feitein, M.[Mirian], Franceschi, E.[Elton], Corazza, M. L.[Marcos L.], Oliveira, V.[Vladimir]
J. Chem. Thermodyn. 2010, 42, 1, 48-53
ABSTRACT
Experimental phase equilibrium data for binary systems involving e-caprolactone, d-hexalactone, and ccaprolactone with carbon dioxide have been measured applying the synthetic method using a high-pressure, variable-volume view cell over the temperature range of (303 to 343) K and pressures up to 21 MPa. For the systems investigated, (vapour + liquid) (VLE), (liquid + liquid) (LLE), and (vapour + liquid + liquid) (VLLE) equilibrium were visually recorded. It was observed that an increase in temperature or in carbon dioxide concentration led to a pronounced raise in transition pressure values. The experimental results were modelled using the Peng Robinson equation of state with the conventional quadratic mixing rule, affording a satisfactory representation of the experimental values.
Compounds
# Formula Name
1 C6H10O2 6-hexanolactone
2 C6H10O2 2H-pyran-2-one, tetrahydro-6-methyl-
3 C6H10O2 2(3H)-furanone, 5-ethyldihydro-
4 CO2 carbon dioxide
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
  • 4
  • 1
  • Vapor or sublimation pressure, kPa ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Gas
  • Closed cell (Static) method
  • 10
  • POMD
  • 4
  • 1
  • Vapor or sublimation pressure, kPa ; Gas
  • Mole fraction - 4; Gas
  • Temperature, K; Gas
  • Gas
  • Liquid
  • Closed cell (Static) method
  • 22
  • POMD
  • 4
  • 1
  • Vapor or sublimation pressure, kPa ; Liquid mixture 1
  • Mole fraction - 4; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Closed cell (Static) method
  • 10
  • POMD
  • 4
  • 1
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 50
  • POMD
  • 4
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 32
  • POMD
  • 4
  • 2
  • Vapor or sublimation pressure, kPa ; Gas
  • Mole fraction - 4; Gas
  • Temperature, K; Gas
  • Gas
  • Liquid
  • Closed cell (Static) method
  • 23
  • POMD
  • 4
  • 3
  • Vapor or sublimation pressure, kPa ; Gas
  • Mole fraction - 4; Gas
  • Temperature, K; Gas
  • Gas
  • Liquid
  • Closed cell (Static) method
  • 12
  • POMD
  • 4
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 53