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

Measurement and Modeling of Liquid-Liquid Equilibrium for Ternary and Quaternary Mixtures of Water, Methanol, 2-Propanol, and 2,2,4-Trimethylpentane at 293.2 K

Rastegar, R.[Reza], Jessen, K.[Kristian]
J. Chem. Eng. Data 2011, 56, 2, 278-281
ABSTRACT
Liquid-liquid equilibrium (LLE) phase compositions for ternary and quaternary mixtures of water, methanol, 2-propanol, and 2,2,4-trimethylpentane were measured at 293.2 K. The universal quasichemical activity coefficient (UNIQUAC) model was used to model the experimental observations. Binary interaction parameters were estimated from the experimental equilibrium phase compositions. The agreement between calculations and experimental observations was very good with an overall root-mean-square deviation (rmsd) of 0.53 %.
Compounds
# Formula Name
1 CH4O methanol
2 C8H18 2,2,4-trimethylpentane
3 H2O water
4 C3H8O propan-2-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
  • 2
  • Mass fraction - 2 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • CHROM:UFactor:4
  • 1
  • POMD
  • 1
  • 2
  • Mass fraction - 2 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • CHROM:UFactor:4
  • 1
  • POMD
  • 1
  • 2
  • 3
  • Mass fraction - 1 ; Liquid mixture 2
  • Mass fraction - 3 ; Liquid mixture 1
  • Mass fraction - 1 ; Liquid mixture 1
  • Mass fraction - 3; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • CHROM:UFactor:4
  • CHROM:UFactor:4
  • CHROM:UFactor:4
  • 7
  • POMD
  • 4
  • 2
  • 3
  • Mass fraction - 3 ; Liquid mixture 1
  • Mass fraction - 3 ; Liquid mixture 2
  • Mass fraction - 4 ; Liquid mixture 2
  • Mass fraction - 4; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • CHROM:UFactor:4
  • CHROM:UFactor:4
  • CHROM:UFactor:4
  • 6
  • POMD
  • 1
  • 4
  • 2
  • Mass fraction - 4 ; Liquid mixture 2
  • Mass fraction - 4 ; Liquid mixture 1
  • Mass fraction - 1 ; Liquid mixture 1
  • Mass fraction - 1; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • CHROM:UFactor:4
  • CHROM:UFactor:4
  • CHROM:UFactor:4
  • 3