Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Binary solid liquid gas equilibrium of the tripalmitin/CO2 and ubiquinone/CO2 systems

Li, J., Rodriguez, M.[Miguel], Paiva, A.[Alexandre], Matos, H. A., Gomes de Azevedo, E.[Edmundo]
Fluid Phase Equilib. 2006, 241, 1-2, 196-204
ABSTRACT
A conventional method was used to measure the melting points of the natural lipid tripalmitin and of the coenzyme ubiquinone (coQ10) under high pressure carbon dioxide. The pressure temperature behavior of the binary three-phase solid liquid gas (SLG) equilibrium for these and other systems, namely naphthalene and biphenyl with carbon dioxide, ethylene and ethane, were investigated using the Peng Robinson equation of state (PR-EoS) with the van der Waals one fluid (vdw-1) mixing rules and with the NRTL equation to calculate the solute activity in the liquid phase. When the interaction parameter in the vdw-1 mixing rules could be determined by the PR-EoS through the correlation of the solid fluid phase equilibrium data, the two NRTL parameters were used as adjustable parameters. The results showed that fairly good correlations could be achieved for the experimental pressure temperature data of all the asymmetric systems studied here, indicating that the NRTL parameters are crucial for describing the pressure temperature behavior but have little effect on the phase compositions at the SLG equilibrium.
Compounds
# Formula Name
1 CO2 carbon dioxide
2 C51H98O6 1,2,3-propanetriyl tri(hexadecanoate)
3 C59H90O4 Coenzyme Q10
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
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 2
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 2
  • Molar volume, m3/mol ; Crystal
  • Temperature, K; Crystal
  • Pressure, kPa; Crystal
  • Crystal
  • Pycnometric method
  • 1
  • POMD
  • 2
  • Molar volume, m3/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Pycnometric method
  • 1
  • POMD
  • 3
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 3
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 3
  • Molar volume, m3/mol ; Crystal
  • Temperature, K; Crystal
  • Pressure, kPa; Crystal
  • Crystal
  • Pycnometric method
  • 1
  • POMD
  • 3
  • Molar volume, m3/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Pycnometric method
  • 1
  • POMD
  • 1
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Crystal - 2
  • Closed cell (Static) method
  • 13
  • POMD
  • 1
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Crystal - 3
  • Closed cell (Static) method
  • 16