Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Thermodynamics of binary mixtures containing N-methyl-2-pyrrolidinone VLE measurements for systems with ethers Comparison with the Mod. UNIFAC (Do) and DISQUAC models Predictions for VLE, GE m, HEm and SLE?

Domanska, U., Lachwa, J., Gonzalez, J. A.
Fluid Phase Equilib. 2005, 235, 2, 182-190
ABSTRACT
Isothermal vapour liquid equilibrium data, (VLE) have been measured by an ebulliometric method for four binary mixtures of N-methyl-2- pyrrolidinone (NMP) with dipropyl ether at T = 353.15K and T = 373.15 K, or dibutyl ether at T = 373.15 K, or methyl 1,1-dimethylethyl ether (MTBE) at T = 333.15 K, or methyl 1,1-dimethylpropyl ether (MTAE) at T = 353.15 K, in the pressure range from P=0kPa to P = 135 kPa. The experimental VLE results have been correlated using a three parameter Redlich Kister expansion. All these systems present positive deviations from Raoult s law. Binary mixtures of NMP with dipropyl ether, dibutyl ether, MTBE and MTAE have been investigated in the framework of the Modified UNIFAC (Do) and DISQUAC models. The reported new interaction parameters for the NMP-group (N CO) and the ether group ( O ) give much better results than known from literature predictions of the thermodynamic properties, including vapour liquid equilibrium, excess molar Gibbs energy, molar excess enthalpies and solid liquid equilibrium. Our experimental data and literature data for binary mixtures containing NMP and ethers were compared to the results of predictions with the Mod. UNIFAC (Do) and DISQUAC models.
Compounds
# Formula Name
1 C5H9NO N-methylpyrrolidone
2 C6H14O dipropyl ether
3 C8H18O dibutyl ether
4 C5H12O 2-methoxy-2-methylpropane
5 C6H14O 2-methoxy-2-methylbutane
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
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 3
  • POMD
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 2
  • POMD
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 1
  • POMD
  • 4
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 1
  • POMD
  • 5
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 1
  • POMD
  • 2
  • 1
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 19
  • POMD
  • 3
  • 1
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 14
  • POMD
  • 1
  • 4
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 12
  • POMD
  • 1
  • 5
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 10