Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

High-pressure vapor-liquid equilibria of the second generation biofuel blends (2-methylfuran + iso-octane) and (2-methyltetrahydrofuran + di-n-butyl ether): Experiments and PCP-SAFT modeling

Liebergesell, B., Kaminski, S., Pauls, C., de Loos, T. W.[Theo W.], Vlugt, T. J. H., Leonhard, K., Bardow, A.
Fluid Phase Equilib. 2015, 400, 95-102
ABSTRACT
Vapor-liquid equilibria are investigated for two promising biofuel blends: 2-methylfuran (2-MF) + isooctane and 2-methyltetrahydrofuran (2-MTHF) + di-n-butyl ether (DNBE). Vapor-liquid equilibria of fuels are of major importance as critical factor for the air fuel mixture formation in a combustion engine. We collected bubble-point pressures of these two binary biofuel blends. The experiments were conducted in the temperature range of 353 to 508 K at pressures of up to 3.7 MPa using a visual synthetic method (Cailletet method). A slight positive deviation from ideal behavior was found for the mixture of 2-MF + iso-octane. The extent of the deviation increases with decreasing temperature. A more pronounced negative deviation from ideal behavior was found for the mixture 2-MTHF + DNBE. The extent of the negative deviation increases with increasing temperature. For correlation of the experimental data, the PCP-SAFT equation of state was used in combination with one-fluid mixing rules, using a binary interaction parameter for the dispersion interaction. It was shown that PCP-SAFT correctly predicts the mixture behavior from pure component data only.
Compounds
# Formula Name
1 C5H6O 2-methylfuran
2 C5H10O 2-methyltetrahydrofuran
3 C8H18O dibutyl ether
4 C8H18 2,2,4-trimethylpentane
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
  • 1
  • POMD
  • 1
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 29
  • POMD
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 26
  • POMD
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 14
  • POMD
  • 4
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 4
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 22
  • POMD
  • 1
  • 4
  • Vapor or sublimation pressure, kPa ; Gas
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Gas
  • Liquid
  • Closed cell (Static) method
  • 295
  • POMD
  • 2
  • 3
  • Vapor or sublimation pressure, kPa ; Gas
  • Mole fraction - 2; Liquid
  • Temperature, K; Liquid
  • Gas
  • Liquid
  • Closed cell (Static) method
  • 229