Thermodynamics Research Center, ThermoML : Journal of Chemical Thermodynamics

Osmotic coefficients and activity coefficients in binary water/5-(hydroxymethyl)furfural and in ternary water/5-(hydroxymethyl)furfural/salt solutions at 298.15 K

Grundl, G., Tsurko, E.N., Neueder, R., Kunz, W.
J. Chem. Thermodyn. 2019, 139, 105878
ABSTRACT
This contribution is about the investigation of osmotic coefficients and the water activity of binary water/ 5-(hydroxymethyl)furfural (5-(hydroxymethyl)furan-2-carbaldehyde, HMF) and ternary water/5-(hydroxymethyl)furfural/salt (salt = NaCl or LiCl) solutions. Osmotic coefficients were determined by vapour pressure osmometry at 298.15 K and 975 hPa. HMF molalities ranged from (0.5 to 5) mol*kg-1 in the binary solutions, while for the ternary solutions HMF molalities ranged from (1 to 5) mol*kg-1 with salt molalities equal to (1 or 3) mol*kg-1. The osmotic coefficients of the binary solutions were approximated with a Pitzer-type function to calculate activity coefficients of HMF in water. Osmotic coefficients of ternary systems were approximated according to the Zdanovskii-Stokes-Robinson (ZSR) semi-ideal mixing rule. Two-parameter fitting (third order terms in the power series) was applied to calculate solute activity coefficients in the ternary solutions.
Compounds
# Formula Name
1 H2O water
2 C6H6O3 5-(hydroxymethyl)furan-2-carbaldehyde
3 ClNa sodium chloride
4 ClLi lithium chloride
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
  • 2
  • Osmotic coefficient ; Liquid
  • Molality, mol/kg - 2; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • vapour pressure osmometry
  • 10
  • POMD
  • 1
  • 2
  • 3
  • Osmotic coefficient ; Liquid
  • Molality, mol/kg - 2; Liquid
  • Molality, mol/kg - 3; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • vapour pressure osmometry
  • 20
  • POMD
  • 1
  • 2
  • 4
  • Osmotic coefficient ; Liquid
  • Molality, mol/kg - 2; Liquid
  • Molality, mol/kg - 4; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • vapour pressure osmometry
  • 20