Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Experimental density and PC-SAFT modeling of biofuel mixtures (DBE + 1-Heptanol) at temperatures from (298.15 to 393.15) K and at pressures up to 140 MPa

Abala, Ilham, Alaoui, Fatima Ezzahrae M'hamdi, Chhiti, Younes, Eddine, Abdelaziz Sahib, Rujas, Natalia Munoz, Aguilar, Fernando
J. Chem. Thermodyn. 2019, 131, 269-285
ABSTRACT
This work reports new experimental density data (816 points) for binary mixtures of dibutyl ether (DBE) + 1-heptanol over the composition range (5 compositions; 0.15 less than= dibutyl ether mole fraction x less than= 0.85), between 298.15 and 393.15 K, and for 23 pressures from 0.1 MPa up to 140 MPa. An Anton Paar vibrating tube densimeter, calibrated with an uncertainty of +-0.7 kg*m-3 was used to perform these measurements. The experimental density data were fitted with a Tait-like equation with low standard deviations. Excess volumes have been calculated from the experimental data. In addition, the isobaric thermal expansivity and the isothermal compressibility have been derived from the Tait-like equation, provided as supplementary material. In addition, PC-SAFT parameters of DBE and 1-heptanol were optimized using density data at atmospheric pressure. From PC-SAFT, density of mixture was reasonably well predicted with an average relative deviation varied between 0.00015% and 2.80%.
Compounds
# Formula Name
1 C7H16O heptan-1-ol
2 C8H18O dibutyl ether
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
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 136
  • POMD
  • 1
  • 2
  • Mass density, kg/m3 ; Liquid
  • Mole fraction - 2; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 954