Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Phase behavior of diisobutyl adipate carbon dioxide mixtures

Liu, J.[Jun], Kim, Y.[Yongchul], McHugh, M. A.[Mark A.]
Fluid Phase Equilib. 2006, 248, 1, 44-49
ABSTRACT
Phase equilibrium data are reported for diisobutyl adipate (DiBA) in CO2 at temperatures from 25 to 150 .C. This system exhibits a continuous mixture-critical curve with a maximum near 200 .C and 260 bar. The phase behavior of the DiBA.CO2 system is well characterized and modeled with the Peng.Robinson equation of state using a single, fixed binary interaction parameter, kij. The DiBA.CO2 data are compared to other solute.CO2 systems with structures similar to DiBA to demonstrate the impact of the diester end groups in DiBA, which enhance DiBA solubility in CO2 at low temperatures, relative to a single (ethyl laurate) or no ester end groups (tetradecane), and a single acid end group (tetradecanoic acid). DiBA.CO2 data are also compared to data for two compounds each with diester groups but one containing an interior aromatic group (dibutyl phthalate) and the other containing the same number of interior carbon groups but with two less carbon groups at either end of the chain (divinyl adipate).
Compounds
# Formula Name
1 C14H26O4 diisobutyl adipate
2 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
  • 2
  • 1
  • Vapor or sublimation pressure, kPa ; Gas
  • Mole fraction - 1; Gas
  • Temperature, K; Gas
  • Gas
  • Liquid
  • Closed cell (Static) method
  • 11
  • POMD
  • 2
  • 1
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 50
  • POMD
  • 2
  • 1
  • Mass density, kg/m3 ; Gas
  • Mole fraction - 1; Gas
  • Temperature, K; Gas
  • Gas
  • Liquid
  • volume and mass of phase
  • 11
  • POMD
  • 2
  • 1
  • Mass density, kg/m3 ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Volume and mass of phase
  • 50