Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

High-pressure (vapor + liquid) equilibria for binary systems containing carbon dioxide and key apple odorants, hexanal and ethyl-2-methylbutyrate

Lopez-Porfiri, P.[Pablo], Villablanca-Ahues, R.[Rafael], Bejarano, A.[Arturo], de la Fuente, J. C.[Juan C.]
J. Chem. Thermodyn. 2017, 115, 269-275
ABSTRACT
The isothermal (vapor + liquid) equilibria was measured for two binary systems including key apple odorants, (carbon dioxide + hexanal) and (carbon dioxide + ethyl-2-methylbutyrate) at (313.2, 323.2 and 333.2) K and pressures ranged from (2 to 10) MPa, using a methodology based on an analytic isothermal method without recirculation. No partial liquid miscibility was observed at the experimental conditions. The molar composition was assessed using gas chromatography for vapor phase, and a cold-trap with a wet test meter for the liquid phase. Experimental results were analyzed, estimating of the combined expanded uncertainty for the mole fractions, lower than 0.012 mol mol 1 for vapor phase and 0.021 mol mol 1 for the liquid phase, as well as, the evaluation of the thermodynamic consistency utilizing a test based on the point-to-point test of van Ness. In addition, the values measured were compared with those reported in literature for (carbon dioxide + hexanal). The Peng-Robinson equation state was used to model the (vapor + liquid) equilibria, with the quadratic van der Waals mixing rules including two adjustable parameters, and with the Wong-Sandler mixing rule plus the Non Random Two Liquid model for the calculation of the excess Gibbs energy.
Compounds
# Formula Name
1 C7H14O2 ethyl 2-methylbutanoate
2 CO2 carbon dioxide
3 C6H12O hexanal
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
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 2; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 16
  • POMD
  • 2
  • 3
  • Mole fraction - 2 ; Gas
  • Mole fraction - 2; Liquid
  • Temperature, K; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 16
  • POMD
  • 2
  • 1
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 2; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 19
  • POMD
  • 2
  • 1
  • Mole fraction - 2 ; Gas
  • Mole fraction - 2; Liquid
  • Temperature, K; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 19