Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Liquid-liquid equilibria for benzaldehyde + n-alkane mixtures andcharacterization of benzaldehyde + hydrocarbon systems in terms of DISQUAC

Gonzalez, J. A.[Juan Antonio], Tristan, C. A.[Cristina Alonso], de la Fuente, I. G.[Isaias Garcia], Cobos, J. C.[Jose Carlos]
Fluid Phase Equilib. 2014, 366, 61-68
ABSTRACT
Liquid-liquid equilibrium (LLE) temperatures have been determined for benzaldehyde + CH3(CH2)nCH3 (n = 8, 10,12,14) mixtures by means of the opalescence method using a laser scattering technique. All the solutions show an upper critical solution temperature (UCST), which increases almost linearly with n. Benzaldehyde + benzene, or + alkyl-benzene, or + alkane mixtures have been treated in terms of the group contribution model DISQUAC. The corresponding interaction parameters for the contacts formyl/aromatic; formyl/aliphatic; formyl/c-CH2 are reported. The former are entirely dispersive; the remainder contacts are characterized by both dispersive and quasichemical interaction parameters. The model correctly describes excess molar enthalpies and the phase equilibrium diagrams, liquid-liquid, vapour-liquid (VLE) and solid-liquid (SLE) of the investigated solutions, over a wide range of temperature using the same set of interaction parameters. Complex phase diagrams including simultaneous LLE and SLE are also well represented by DISQUAC. It is shown that interactions between benzaldehyde and an aromatic hydrocarbon are mainly dispersive, and that those between benzaldehyde molecules in alkane solutions are of dipolar type.
Compounds
# Formula Name
1 C7H6O benzaldehyde
2 C10H22 decane
3 C12H26 dodecane
4 C14H30 tetradecane
5 C16H34 hexadecane
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
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 4
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 5
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 1
  • 2
  • Liquid-liquid equilibrium temperature, K ; Liquid mixture 1
  • Mole fraction - 1; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • VISOBS
  • 34
  • POMD
  • 1
  • 3
  • Liquid-liquid equilibrium temperature, K ; Liquid mixture 1
  • Mole fraction - 1; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • VISOBS
  • 29
  • POMD
  • 1
  • 4
  • Liquid-liquid equilibrium temperature, K ; Liquid mixture 1
  • Mole fraction - 1; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • VISOBS
  • 35
  • POMD
  • 1
  • 5
  • Liquid-liquid equilibrium temperature, K ; Liquid mixture 1
  • Mole fraction - 1; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • VISOBS
  • 27