Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Influence of size and shape effects on the high-pressure solubility of n-alkanes: Experimental data, correlation and prediction

Domanska, U.[Urszula], Morawski, P.[Piotr]
J. Chem. Thermodyn. 2005, 37, 12, 1276-1287
ABSTRACT
(Solid + liquid) phase equilibria (SLE) of (n-hexadecane, or n-octadecane + 3-methylpentane, or 2,2-dimethylbutane, or benzene) at very high pressures up to about 1.0 GPa have been investigated at the temperature range from T = (293 to 353) K. The thermostated apparatus for the measurements of transition pressures from the liquid to the solid state in two component isothermal solutions was used. The pressure temperature composition relation of the high pressure (solid + liquid) phase equilibria, polynomial based on the general solubility equation at atmospheric pressure was satisfactorily used. Additionally, the SLE of binary systems (n-hexadecane, or n-octadecane + 3-methylpentane, or 2,2-dimethylbutane, or benzene, or n-hexane or cyclohexane) at normal pressure was discussed. The results at high pressures were compared for every system to these at normal pressure. The influence of the size and shape effects on the solubility at 0.1 MPa and high pressure up to 600 MPa was discussed. The main aim of this work was to predict the mixture behaviour using only pure components data and cubic equation of state in the wide range of pressures, far above the pressure range which cubic equations of state are normally applied to. The fluid phase behaviour is described by the corrected SRK-EOS and the van der Waals one fluid mixing rules.
Compounds
# Formula Name
1 C6H14 3-methylpentane
2 C6H14 2,2-dimethylbutane
3 C16H34 hexadecane
4 C18H38 octadecane
5 C6H6 benzene
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
  • 3
  • Solid-liquid equilibrium temperature, K ; Crystal
  • Pressure, kPa; Crystal
  • Crystal
  • Liquid
  • pressure-volume curve discontinuity
  • 6
  • POMD
  • 4
  • Solid-liquid equilibrium temperature, K ; Crystal
  • Pressure, kPa; Crystal
  • Crystal
  • Liquid
  • pressure-volume curve discontinuities
  • 6
  • POMD
  • 5
  • Solid-liquid equilibrium temperature, K ; Crystal
  • Pressure, kPa; Crystal
  • Crystal
  • Liquid
  • pressure-volume curve discontinuity
  • 7
  • POMD
  • 1
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Liquid
  • Crystal - 3
  • pressure-volume curve discontinuity
  • 84
  • POMD
  • 2
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Liquid
  • Crystal - 3
  • pressure-volume curve discontinuities
  • 78
  • POMD
  • 5
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Liquid
  • Crystal - 3
  • pressure-volume curve discontinuities
  • 72
  • POMD
  • 5
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Liquid
  • Crystal - 5
  • pressure-volume curve discontinuity
  • 30
  • POMD
  • 1
  • 4
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 4; Liquid
  • Liquid
  • Crystal - 4
  • pressure-volume curve discontinuities
  • 78
  • POMD
  • 2
  • 4
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 4; Liquid
  • Liquid
  • Crystal - 4
  • pressure-volume curve discontinuities
  • 78
  • POMD
  • 5
  • 4
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 4; Liquid
  • Liquid
  • Crystal - 4
  • pressure-volume curve discontinuities
  • 73
  • POMD
  • 5
  • 4
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 4; Liquid
  • Liquid
  • Crystal - 5
  • pressure-volume curve discontinuity
  • 35