Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Solubility of hydrocarbons in water: Experimental measurements and modeling using a group contribution with association equation of state (GCA-EoS)

Pereda, S.[Selva], Awan, J. A.[Javeed A.], Mohammadi, A. H.[Amir H.], Valtz, A.[Alain], Coquelet, C.[Christophe], Brignole, E. A.[Esteban A.], Richon, D.[Dominique]
Fluid Phase Equilib. 2009, 275, 1, 52-59
ABSTRACT
In this communication, newexperimental data on the solubility of n-hexane, cyclo-hexane and iso-octane in pure water are reported. The data have been measured using a static-analytic technique that takes advantage of a RolsiTM sampling device in the temperature range of 298 353K and at pressures up to 0.5MPa. The experimental data measured in this work at 298K have been compared with some selected data from the literature and good agreement is found. A group contribution plus association equation of state, namely the GCA-EoS, is used to model the phase equilibrium ofwater + hydrocarbon (C2 to n-C6, cy- C6, i-C4 and i-C8) system. The predictions of the model are found in good agreement with the experimental data measured in this work and some selected data from the literature.
Compounds
# Formula Name
1 C6H12 cyclohexane
2 C6H14 hexane
3 C8H18 2,2,4-trimethylpentane
4 H2O water
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
  • 4
  • Mole fraction - 2 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • CHROM:UFactor:16
  • 4
  • POMD
  • 1
  • 4
  • Mole fraction - 1 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • 4
  • POMD
  • 3
  • 4
  • Mole fraction - 3 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • CHROM:UFactor:16
  • 4