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

Measurement and Thermodynamic Models for Ternary Liquid-Liquid Equilibrium Systems {Water + Polyoxymethylene Dimethyl Ethers +4-Methyl-2-pentanol} at Different Temperatures

Wang, Liping, Zhou, Saisai, Li, Pan, Li, Pengzhou, Li, Qingsong, Yu, Yingmin
J. Chem. Eng. Data 2018, 63, 8, 3074-3082
ABSTRACT
Polyoxymethylene dimethyl ethers (DMMn) have attracted particular attention in industry as excellent oxygenated fuel additives. This study aims to reveal the liquid-liquid equilibrium (LLE) values regarding ternary mixtures {water + methylal (DMM1) + 4-methyl-2-pentanol (MIBC)}, {water + DMM2 + MIBC}, {water + DMM3 + MIBC} and {water + DMM4 + MIBC} at 298.2 K and 308.2 K under 101.3kpa. Distribution factor and selectivity were utilized to assess the extracting capabilities of the selected extractant. The well-known Hand equation and Othmer-Tobias equation were utilized to test the consistency of the LLE values. In addition, the experimental results were correlated by the UNIQUAC and NRTL thermodynamic models with all the root-mean-square deviation values less than 0.0127which indicated both models can agreement the tie-line data well.
Compounds
# Formula Name
1 C6H14O 4-methyl-2-pentanol
2 C3H8O2 dimethoxymethane
3 C4H10O3 2,4,6-trioxaheptane
4 C5H12O4 2,4,6,8-tetraoxanonane
5 C6H14O5 2,4,6,8,10-pentaoxaundecane
6 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
  • 6
  • 2
  • 1
  • 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
  • 14
  • POMD
  • 6
  • 3
  • 1
  • Mass fraction - 1 ; Liquid mixture 2
  • Mass fraction - 1 ; Liquid mixture 1
  • Mass fraction - 3 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Mass fraction - 3; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • Chromatography
  • Chromatography
  • 14
  • POMD
  • 6
  • 4
  • 1
  • Mass fraction - 1 ; Liquid mixture 2
  • Mass fraction - 1 ; Liquid mixture 1
  • Mass fraction - 4 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Mass fraction - 4; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • Chromatography
  • Chromatography
  • 14
  • POMD
  • 6
  • 5
  • 1
  • Mass fraction - 1 ; Liquid mixture 2
  • Mass fraction - 1 ; Liquid mixture 1
  • Mass fraction - 5 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Mass fraction - 5; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • Chromatography
  • Chromatography
  • 14