Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

High-pressure liquid densities of fatty acid methyl esters: Measurement and prediction with the PC-SAFT equation of state

Wang, Xiaopo, Kang, Kai, Zhu, Shanshan, Gao, Bo
Fluid Phase Equilib. 2018, 471, 8-16
ABSTRACT
In this work, the experimental density data were reported for six fatty acid methyl esters, including methyl butyrate, methyl valerate, methyl caproate, methyl pelargonate, methyl heptanoate, and methyl caprylate. The densities were measured from (293.15 to 363.15) K and pressures up to 60 MPa by a vibrating-tube densimeter. The relative uncertainty of the measurement is estimated less than 0.001 with a confidence level of 0.95. The high pressure densities were correlated with a Tait-type equation. The overall average relative deviation between experimental data and calculated results from Tait equation for the six fatty acid esters is 0.010 %. The derived thermodynamic properties, such as isobaric thermal expansivity and isothermal compressibility, were obtained from the experimental density results. Additionally, the molecular parameters of the PC-SAFT equation of state for the studied esters were obtained based on the corresponding vapor pressures and liquid densities at 0.1 MPa. The PC-SAFT equation was used to predict the high pressure densities of the esters, and good agreements were observed.
Compounds
# Formula Name
1 C5H10O2 methyl butanoate
2 C6H12O2 methyl pentanoate
3 C7H14O2 methyl hexanoate
4 C8H16O2 methyl heptanoate
5 C9H18O2 methyl octanoate
6 C10H20O2 methyl nonanoate
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
  • Vibrating tube method
  • 104
  • POMD
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 104
  • POMD
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 104
  • POMD
  • 4
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 104
  • POMD
  • 5
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 104
  • POMD
  • 6
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 104