Thermodynamics Research Center / ThermoML | Thermochimica Acta

The density, the refractive index and the adjustment of the excess thermodynamic properties by means of the multiple linear regression method for the ternary system ethylbenzene-octane-propylbenzene

Lisa, C., Ungureanu, M., Cosmatchi, P. C., Bolat, G.
Thermochim. Acta 2015, 617, 76-82
ABSTRACT
The density (.rho.) and the refractive index (n) have been experimentally determined for the ethylbenzene (1) - octane (2) - propylbenzene (3) ternary system in the entire variation range of the composition, at three temperatures: 298.15, 308.15 and 318.15 K and pressure 0.1 MPa. The excess thermodynamic properties that had been calculated based on the experimental determinations have been used to build empirical models which, despite of the disadvantage of having a greater number of coefficients, result in much lower standard deviations in comparison with the Redlich Kister type models. The statistical processing of experimental data by means of the multiple linear regression method (MLR) was used in order to model the excess thermodynamic properties. Lower standard deviations than the Redlich-Kister type models were also obtained. The adjustment of the excess molar volume (VE) based on refractive index by means of the Multiple linear regression of the SigmaPlot 11.2 program was made for the ethylbenzene (1) - octane (2) - propylbenzene (3) ternary system, obtaining a simple mathematical model which correlates the excess molar volume with the refractive index, the normalized temperature and the composition of the ternary mixture: VE= A0+ A1X1+ A2X2+ A3(T/298.15) + A4n for which the standard deviation is 0.03.
Compounds
# Formula Name
1 C8H10 ethylbenzene
2 C8H18 octane
3 C9H12 propylbenzene
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
  • 3
  • POMD
  • 1
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 3
  • POMD
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 3
  • POMD
  • 2
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 3
  • POMD
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 3
  • POMD
  • 3
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 3
  • POMD
  • 1
  • 3
  • 2
  • Mass density, kg/m3 ; Liquid
  • Mole fraction - 1; Liquid
  • Mole fraction - 2; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 45
  • POMD
  • 1
  • 3
  • 2
  • Refractive index (Na D-line) ; Liquid
  • Mole fraction - 1; Liquid
  • Mole fraction - 2; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 45