Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

The choice of solvent and liquid liquid equilibrium for ternary water + 2-methylaziridine + chloroform system: Experimental data and modeling

Saien, J.[Javad], Norouzi, M.[Mahdi], Dehghani, H.[Hussein]
Fluid Phase Equilib. 2013, 338, 224-231
ABSTRACT
Based on solvent selection criteria, chloroform was introduced as the most appropriate solvent for the extraction of 2-methylaziridine from aqueous phase. Accordingly, liquid liquid equilibrium (LLE) data for the ternary water + 2-methylaziridine + chloroform system were obtained at different temperatures of 288.2, 298.2 and 313.2 K and under ambient pressure. The data for equilibrium composition were determined by cloud point method and conjugate points on tie lines were obtained using the refractive index as a function of composition. Results showed that relative mutual solubility of 2-methylaziridine was higher in aqueous phase than organic phase, and tie line data at each temperature were nicely agree with the Othmer Tobias correlation. Consequently, extraction capability of chloroform was evaluated with respect to distribution coefficient and separation factor. The NRTL and UNIQUAC models were used to correlate the experimental data and both models showed satisfactorily agreement; however, NRTL exhibited better agreement.
Compounds
# Formula Name
1 C3H7N 2-methylaziridine
2 CHCl3 trichloromethane
3 H2O water
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
  • 1
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 2
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 3
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 2
  • 1
  • 3
  • Mass fraction - 3 ; Liquid mixture 1
  • Mass fraction - 2 ; Liquid mixture 2
  • Mass fraction - 1 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Mass fraction - 1; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • Titration method
  • Titration method
  • 24