Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Isothermal vapour liquid equilibrium with chemical reaction in the quaternary water + methanol + acetic acid + methyl acetate system, and in five binary subsystems

Bernatova, S.[Svatoslava], Aim, K.[Karel], Wichterle, I.[Ivan]
Fluid Phase Equilib. 2006, 247, 1-2, 96-101
ABSTRACT
Vapour liquid equilibrium (VLE) accompanied with chemical reaction in the quaternary water + methanol + acetic acid + methyl acetate system was measured in a modified Dvorak and Boubl'yk still; 20 experimental points at 323.15K were determined. For the complete and consistent description, the isothermal VLE data in the four non-reacting binary subsystems were measured at the same temperature. The data were correlated by means of the maximum likelihood procedure by using the NRTL model; binary model parameters for the binary subsystems were obtained from experimental vapour liquid equilibrium data by using either the Hayden O Connell or Marek Standart correction as appropriate, to account for the non-ideality of vapour phase. NRTL parameters for the reacting binary subsystems were estimated from the global optimization based on the quaternary experimental data. The results obtained from the correlation show a good agreement of calculated and experimental data. By using transformed composition variables, two-dimensional phase diagrams for the quaternary system have been constructed.
Compounds
# Formula Name
1 H2O water
2 CH4O methanol
3 C2H4O2 acetic acid
4 C3H6O2 methyl ethanoate
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
  • EBULLIO:UFactor:2
  • 1
  • POMD
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • EBULLIO:UFactor:2
  • 1
  • POMD
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • EBULLIO:UFactor:4
  • 1
  • POMD
  • 4
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • EBULLIO:UFactor:2
  • 1
  • POMD
  • 2
  • 1
  • Vapor or sublimation pressure, kPa ; Gas
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Gas
  • Liquid
  • EBULLIO:UFactor:2
  • 14
  • POMD
  • 2
  • 1
  • Mole fraction - 1 ; Gas
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Gas
  • Liquid
  • CHROM:UFactor:4
  • 12
  • POMD
  • 2
  • 4
  • Vapor or sublimation pressure, kPa ; Gas
  • Mole fraction - 2; Gas
  • Temperature, K; Gas
  • Gas
  • Liquid
  • EBULLIO:UFactor:2
  • 14
  • POMD
  • 2
  • 4
  • Mole fraction - 2 ; Liquid
  • Mole fraction - 2; Gas
  • Temperature, K; Gas
  • Liquid
  • Gas
  • CHROM:UFactor:4
  • 12
  • POMD
  • 4
  • 1
  • Vapor or sublimation pressure, kPa ; Gas
  • Mole fraction - 4; Gas
  • Temperature, K; Gas
  • Gas
  • Liquid
  • EBULLIO:UFactor:2
  • 8
  • POMD
  • 4
  • 1
  • Mole fraction - 4 ; Liquid
  • Mole fraction - 4; Gas
  • Temperature, K; Gas
  • Liquid
  • Gas
  • CHROM:UFactor:4
  • 6
  • POMD
  • 3
  • 4
  • Vapor or sublimation pressure, kPa ; Gas
  • Mole fraction - 4; Gas
  • Temperature, K; Gas
  • Gas
  • Liquid
  • EBULLIO:UFactor:4
  • 20
  • POMD
  • 3
  • 4
  • Mole fraction - 4 ; Liquid
  • Mole fraction - 4; Gas
  • Temperature, K; Gas
  • Liquid
  • Gas
  • CHROM:UFactor:4
  • 18
  • POMD
  • 3
  • 1
  • Vapor or sublimation pressure, kPa ; Gas
  • Mole fraction - 1; Gas
  • Temperature, K; Gas
  • Gas
  • Liquid
  • EBULLIO:UFactor:2
  • 13
  • POMD
  • 3
  • 1
  • Mole fraction - 1 ; Liquid
  • Mole fraction - 1; Gas
  • Temperature, K; Gas
  • Liquid
  • Gas
  • CHROM:UFactor:4
  • 11