Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Experimental measurements and equation of state modeling of liquid densities for long-chain n-alkanes at pressures to 265 MPa and temperatures to 523 K

Wu, Y.[Yue], Bamgbade, B.[Babatunde], Liu, K.[Kun], McHugh, M. A.[Mark A.], Baled, H.[Hseen], Enick, R. M.[Robert M.], Burgess, W.[Ward], Tapriyal, D.[Deepak], Morreale, B. D.[Bryan D.]
Fluid Phase Equilib. 2011, 311, 17-24
ABSTRACT
Experimental densities are reported for n-hexadecane, n-octadecane, and n-eicosane at pressures to 265 MPa and temperatures of 323.15, 423.15, and 523.15 K. The reported densities are in good agreement with the available literature data that cover limited pressure and temperature ranges. The Peng-Robinson equation of state (PR EOS), a new high-temperature high-pressure volume-translated Soave-Redlich-Kwong equation of state (HTHP-VT SRK EOS), and the perturbed-chain statistical associating fluid theory (PC-SAFT) are used to predict the reported densities. Both the HTHP-VT SRK and PC-SAFT equations exhibit mean absolute percent deviation (MAPD) values of 2.4 to 1.3 % for the densities of all three hydrocarbons while the MAPD values for the PR EOS are all near 16 %.
Compounds
# Formula Name
1 C16H34 hexadecane
2 C20H42 eicosane
3 C18H38 octadecane
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
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Variable volume cell
  • 31
  • POMD
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Variable volume cell
  • 30
  • POMD
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Variable volume cell
  • 31