Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Solubility of CO2 in branched alkanes in order to extend the PPR78 model (predictive 1978, Peng Robinson EOS with temperature-dependent kij calculated through a group contribution method) to such systems

Mutelet, F.[Fabrice], Vitu, S.[Stephane], Privat, R.[Romain], Jaubert, J.-N.[Jean-Noel]
Fluid Phase Equilib. 2005, 238, 2, 157-168
ABSTRACT
A high pressure, variable-volume visual cell was used to perform static measurements of phase equilibria involving carbon dioxide and four different alkanes: n-heptane, 2,2,4-trimethyl pentane (isooctane), 2,5-dimethyl hexane and 3-methyl pentane. Different temperatures ranging from 278.15 to 413.15K were selected. The bubble point pressures, ranging from 12 to 134 bar were measured at carbon dioxide mole fractions between 0.23 and 0.91. The experimental data were compared with correlations obtained with a simplified version of the PPR78 model in which each molecule has been considered as a single group. Such a model is able to predict with quite high accuracy our data whatever the temperature.
Compounds
# Formula Name
1 CO2 carbon dioxide
2 C7H16 heptane
3 C8H18 2,2,4-trimethylpentane
4 C8H18 2,5-dimethylhexane
5 C6H14 3-methylpentane
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
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 117
  • POMD
  • 1
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 141
  • POMD
  • 1
  • 4
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 117
  • POMD
  • 5
  • 1
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 49