Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

Liquid Phase Equilibria of Water + Formic Acid + Dimethyl Carbonate Ternary System at Several Temperatures

Ince, E.[Erol], Lalikoolu, M.[Melisa], Constantinescu, D.[Dana]
J. Chem. Eng. Data 2014, 59, 9, 2781-2787
ABSTRACT
Liquid liquid equilibria of water + formic acid + dimethyl carbonate have experimentally been specified at (298.2, 308.2, and 318.2) K. Each phase diagram was obtained by specifying binodal curves and tie-lines. The reliability of the experimental tie-lines was verified via the Othmer Tobias correlation. The experimental tie-line data were correlated using the nonrandom two liquid and the universal quasichemical (UNIQUAC) models in order to obtain the binary interaction parameters. However, UNIQUAC functional-group activity coefficients (UNIFAC) and modified-UNIFAC methods were also used to predict the phase equilibrium in the system determined from experimental data using the interaction parameters between CH3, OCOO, HCOOH, and H2O functional groups. Distribution coefficients and separation factors were evaluated for the immiscibility region.
Compounds
# Formula Name
1 CH2O2 formic acid
2 H2O water
3 C3H6O3 dimethyl carbonate
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
  • 1
  • Normal boiling temperature, K ; Liquid
  • Liquid
  • Gas
  • Distillation
  • 1
  • POMD
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 3
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 3
  • Normal boiling temperature, K ; Liquid
  • Liquid
  • Gas
  • Distillation
  • 1
  • POMD
  • 1
  • 3
  • 2
  • Mass fraction - 1 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Mass fraction - 2; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • TITR:UFactor:4
  • 27
  • POMD
  • 1
  • 3
  • 2
  • Mass fraction - 1 ; Liquid mixture 1
  • Mass fraction - 1 ; Liquid mixture 2
  • Mass fraction - 2 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Mass fraction - 2; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • Chromatography
  • Chromatography
  • 9
  • POMD
  • 3
  • 2
  • Mass fraction - 2 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • TITR:UFactor:4
  • 3
  • POMD
  • 3
  • 2
  • Mass fraction - 2 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • TITR:UFactor:4
  • 3