Thermodynamics Research Center / ThermoML | Thermochimica Acta

Volumetric and electromagnetic properties of binary mixtures consist of benzene derivatives at different temperature and ternary mixtures with 1,2-dichloroethane at T = 293.15 K with application of the Prigogine-Flory-Patterson theory and PC-SAFT

Jafarnejad, M., Iloukhani, H.
Thermochim. Acta 2016, 639, 160-172
ABSTRACT
The densities and refractive index of binary mixtures consisting of bromobenzene, chlorobenzene,nitrobenzene have been measured for the whole range of composition at wide range of temperatures(T = 293.15 333.15 K) in 10 K intervals and their ternary mixture with 1, 2-dichloroethane determinedat T = 293.15 K in ambient pressure (81.5 kPa), using Anton Paar DMA 4500 oscillating densimeter andAnton Paar Abbemat 500 automatic refractometer. From experimental data, excess molar volumes VEm for ternary and binary mixtures were derived. Partial molar volumes, apparent molar volumes and refractive index deviations of binary mixtures were calculated also and VEm and DnD for binary mix-tures were correlated with the Redlich Kister polynomial equation. A comparative study has been madeof the refractive indices obtained experimentally and those calculated by means the theoretical relations.Excess molar volume of ternary mixtures were fitted with Cibulka, Singh, and Nagata equations and fourgeometrical solution models were used to predict excess molar volume of ternary mixtures. Excess molarvolumes, VEm, and refractive index deviations, DnD are positive for the bromobenzene + nitrobenzenemixtures, while VEm of chlorobenzene +bromobenzene and chlorobenzene +nitrobenzene mixtures arenegative and the refractive index deviations DnD showed similar behavior. PC-SAFT equations of statewere applied to predict density of binary and ternary mixtures and the experimental results of constitutebinary mixtures have been used to test the applicability of the Prigogine-Flory-Patterson (PFP) theory.
Compounds
# Formula Name
1 C2H4Cl2 1,2-dichloroethane
2 C6H5Br bromobenzene
3 C6H5Cl chlorobenzene
4 C6H5NO2 nitrobenzene
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
  • 4
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 55
  • POMD
  • 4
  • 2
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 55
  • POMD
  • 2
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 55
  • POMD
  • 2
  • 3
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 55
  • POMD
  • 4
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 55
  • POMD
  • 4
  • 3
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 55
  • POMD
  • 1
  • 2
  • 3
  • Mass density, kg/m3 ; Liquid
  • Mole fraction - 1; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Vibrating tube method
  • 40
  • POMD
  • 4
  • 1
  • 2
  • Mass density, kg/m3 ; Liquid
  • Mole fraction - 1; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Vibrating tube method
  • 40
  • POMD
  • 4
  • 1
  • 3
  • Mass density, kg/m3 ; Liquid
  • Mole fraction - 1; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Vibrating tube method
  • 40