Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Measurement and modelling of urea solubility in aqueous propane-1,2,3-triol and prop-2-enoic acid solutions

dos Santos, J. d. J.[Jessica de J.], Rocha, J. A. A. B.[Joao A. A. B.], Costa, G. M. N.[Gloria M. N.], Cabral-Albuquerque, E. C. M.[Elaine C. M.], Alves, T. L. M.[Tito L. M.], Pinto, J. C.[Jose C.], Fialho, R. L.[Rosana L.]
J. Chem. Thermodyn. 2016, 103, 142-151
ABSTRACT
The aim of the present study is to measure the solubility of urea in aqueous solutions of prop-2-enoic acid and propane-1,2,3-triol, as these compounds are used as co-monomers to produce urea base copolymers. Experimental values have been obtained at several concentrations and temperatures. Solubility results were modelled with the help of an exponential empirical correlation, ideal solidliquid equilibrium correlation and the Universal Functional Activity Coefficient (UNIFAC) method, used to describe the activity coefficient in the liquid phase. The empirical correlation requires two empirical parameters for each solvent and leads to the best fit for the available data. The UNIFAC method correlation also has a good numerical performance and is completely predictive, and it does not require the estimation of additional parameters.
Compounds
# Formula Name
1 C3H8O3 glycerol
2 C3H4O2 propenoic acid
3 CH4N2O urea
4 H2O water
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
  • 3
  • 4
  • Mass ratio of solute to solvent - 3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • Titration
  • 5
  • POMD
  • 3
  • 2
  • 4
  • Mass ratio of solute to solvent - 3 ; Liquid
  • Solvent: Mass fraction - 2; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • Titration
  • 27
  • POMD
  • 1
  • 3
  • 4
  • Mass ratio of solute to solvent - 3 ; Liquid
  • Solvent: Mass fraction - 1; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • Titration
  • 24