Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Phase equilibrium and mechanisms of crystallization in liquid-liquid phase separating system

Yang, H.[Huaiyu], Rasmuson, A. C.[Ake C.]
Fluid Phase Equilib. 2015, 385, 120-128
ABSTRACT
The influence of liquid-liquid phase separation (LLPS) in a crystallizing system is examined, and the liquid liquid tie lines are determined in the ternary system of butyl paraben, water and ethanol. Crystallization by evaporation in droplets (solution of butyl paraben in ethanol and water mixtures) of homogeneous solution and two-phase liquid mixtures on plates of different materials: glass, plastic, steel, and tin were investigated by microscopy. Different crystallization and liquid liquid phase separation behaviour are observed depending on initial droplet composition and the surface material. This work reveals that crystallization in the LLPS solution of butyl paraben in ethanol water mixtures starts in the butyl paraben rich phase as can be explained by a higher butyl paraben concentration, and a lower solid liquid interfacial energy.
Compounds
# Formula Name
1 C11H14O3 butyl 4-hydroxybenzoate
2 C2H6O ethanol
3 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
  • 2
  • 1
  • 3
  • Mass fraction - 2 ; Liquid mixture 1
  • Mass fraction - 1 ; Liquid mixture 2
  • Mass fraction - 2 ; Liquid mixture 2
  • Mass fraction - 1; Liquid mixture 1
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Gravimetric after drying
  • Gravimetric after drying
  • Gravimetric after drying
  • 3