Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Hydrogen solubility in furfural and 2-propanol: Experiments and modeling

Jaatinen, S.[Salla], Touronen, J.[Jouni], Karinen, R.[Reetta], Uusi-Kyyny, P.[Petri], Alopaeus, V.[Ville]
J. Chem. Thermodyn. 2017, 112, 1-6
ABSTRACT
Production of valuable chemicals from furfural through hydrotreatment requires information of hydrogen solubility in furfural and the most often applied solvent, 2-propanol. This study investigates hydrogen solubility in furfural and 2-propanol at the temperature range of 323 476 K and pressure range up to 12.5 MPa. The measured data are compared to prediction with Soave-Redlich-Kwong, Peng-Robinson, and Perturbed-Chain Statistically Associating Fluid Theory (PC-SAFT) equations of state. The most accurate prediction of hydrogen solubility in furfural and 2-propanol was obtained with PC-SAFT.
Compounds
# Formula Name
1 C5H4O2 2-furaldehyde
2 C3H8O propan-2-ol
3 H2 hydrogen
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
  • 3
  • Mole fraction - 3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • Volumetric Method
  • 11
  • POMD
  • 1
  • 3
  • Mole fraction - 3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • Volumetric Method
  • 1
  • POMD
  • 1
  • 3
  • Mole fraction - 3 ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Volumetric Method
  • 3
  • POMD
  • 1
  • 3
  • Mole fraction - 3 ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Volumetric Method
  • 3