Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Liquid liquid equilibria for acetophenone + n-alkane mixtures and characterization of acetophenone systems using DISQUAC

Gonzalez, J. A.[Juan Antonio], Alonso-Tristan, C.[Cristina], Fuente, I. G. d. l.[Isaias Garcia de la], Cobos, J. C.[Jose Carlos]
Fluid Phase Equilib. 2015, 391, 39-48
ABSTRACT
Liquid-liquid equilibrium (LLE) temperatures have been determined for acetophenone + CH3(CH2)uCH3 (u = 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 u. Acetophenone + benzene, or +alkane, or +1-alkanol mixtures have been treated by means of the DISQUAC model. The corresponding dispersive and quasi-chemical interaction parameters for the contacts CO/aromatic; CO/aliphatic; CO/c-CH2 and CO/hydroxyl are reported. The model correctly describes LLE diagrams and excess molar enthalpies, HE m, of the investigated solutions, over a wide range of temperature using the same set of interaction parameters. Mixtures with alkanes are mainly characterized by dipolar interactions. From the analysis of molar excess functions: HE m, volumes, VE m, and internal energies at constant volume, UE Vm , and on LLE for such systems, it is shown that interactions between acetophenone molecules are stronger than those between 2-hexanone or 2-octanone molecules and that they are similar to acetone acetone interactions. Thus, the phenyl ring in acetophenone leads to strengthened interactions between alkanone molecules. Dipolar interactions are also important in mixtures containing 1-alkanols, and become more relevant in solutions with longer 1-alkanols. The enthalpy of the alcohol acetophenone interactions, DHOH CO, were determined. This magnitude increases with the alkanol size and remains practically constant from 1-butanol.
Compounds
# Formula Name
1 C8H8O acetophenone
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
  • 22
  • 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
  • 22
  • 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
  • 21
  • 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
  • 23