Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Phase equilibria and excess molar enthalpies study of the binary systems (pyrrole + hydrocarbon, or an alcohol) and modeling

Domanska, U., Zawadzki, M., Krolikowski, M., Gonzalez, J. A.
Fluid Phase Equilib. 2014, 361, 116-129
ABSTRACT
Isothermal vapour-liquid equilibrium data (VLE) have been measured by an ebulliometric method for the binary mixtures of {pyrrole (1) + benzene, or pyridine, or cyclohexane (2)} at three temperatures (338.15, 348.15 and 358.15 K). Binary systems with pyridine were measured at higher temperatures (353.15, 363.15 and 373.15 K). The densities and excess molar volumes of {pyrrole (1) + pyridine (2)} over temperature range (298.15 338.15 K) were developed. The excess molar enthalpies of binary systems of {pyrrole (1) + benzene, or pyridine, or cyclohexane, or 1-propanol, or 1-butanol, or 1-pentanol (2)} at temperature T = 298.15 K have been measured. Well-known non-random two liquids (NRTL) equation and the Redlich Kister equation has been used to correlate the experimental VLE data sets and excess molar enthalpies, respectively. Using the data presented in this work and published by us earlier, the interaction parameters have been determined for Mod. UNIFAC (Do) and DISQUAC models for the systems {pyrrole (1) + benzene, or pyridine, or cyclohexane (2)}. Both models described experimental data with similar accuracy. The DISQUAC model predicts liquid liquid equilibrium (LLE) in system (pyrrole + cyclohexane) which is in agreement with the experiment, whereas Mod. UNIFAC (Do) predicts simple eutectic system. In case of binary systems with alcohols, the interaction parameters could not accurately describe the experimental data.
Compounds
# Formula Name
1 C4H5N pyrrole
2 C5H5N pyridine
3 C6H6 benzene
4 C6H12 cyclohexane
5 C3H8O propan-1-ol
6 C4H10O butan-1-ol
7 C5H12O pentan-1-ol
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
  • 5
  • POMD
  • 1
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 6
  • POMD
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 5
  • POMD
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 3
  • POMD
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 2
  • POMD
  • 4
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 2
  • POMD
  • 1
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 85
  • POMD
  • 1
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 80
  • POMD
  • 1
  • 2
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • isothermal titration calorimeter
  • 38
  • POMD
  • 3
  • 1
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 56
  • POMD
  • 3
  • 1
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • isothermal titration calorimeter
  • 74
  • POMD
  • 1
  • 4
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 53
  • POMD
  • 1
  • 4
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • isothermal titration calorimeter
  • 64
  • POMD
  • 5
  • 1
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • isothermal titration calorimeter
  • 34
  • POMD
  • 6
  • 1
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • isothermal titration calorimeter
  • 41
  • POMD
  • 7
  • 1
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • isothermal titration calorimeter
  • 41