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

Liquid-Liquid Equilibrium of Water + 2-Methoxyphenol + Methyl Isobutyl Ketone and Water + 1,2-Benzenediol + Methyl Isobutyl Ketone at 303.15 K and 328.15 K

Montesantos, Nikolaos, Chirullo, Matteo, Maschietti, Marco
J. Chem. Eng. Data 2018, 63, 3, 712-722
ABSTRACT
Liquid-liquid equilibrium (LLE) experiments for the systems water + 2-methoxyphenol + MIBK and water + 1,2-benzenediol + MIBK were carried out at 303.15 K and 328.15 K, according to a procedure allowing the measurement of both the composition of the phases in equilibrium and their relative amount. Binary LLE data of the sub-systems water + MIBK and water + 2-methoxyphenol were also measured, as well as the solubility of 1,2benzenediol in water. The experimental data were modelled using the NRTL activity coefficient model, with optimal energy parameters calculated from the experimental data. The NRTL model proved to be adequate in describing the LLE phase behaviour of the systems investigated and it can be used for process design of liquid-liquid extraction of these aromatic solutes from aqueous phases. MIBK proved to be an efficient extractant for 2-methoxyphenol and 1,2-benzenediol, even though distribution factors for 2methoxyphenol are 4-5 times higher than those of 1,2-benzenediol. The results are relevant to the design of extraction processes aimed at recovering phenols from wastewaters or aqueous phases produced in hydrothermal conversion of biomass, such as in the case of the conversion of lignin, which is a by-product of pulp mills and lignocellulosic bioethanol plants.
Compounds
# Formula Name
1 C7H8O2 2-methoxyphenol
2 C6H6O2 1,2-benzenediol
3 C6H12O 4-methylpentan-2-one
4 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
  • 4
  • 1
  • 3
  • Mass fraction - 4 ; Liquid mixture 2
  • Mass fraction - 4 ; Liquid mixture 1
  • Mass fraction - 1 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Mass fraction - 1; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • OTHER
  • OTHER
  • OTHER
  • 34
  • POMD
  • 4
  • 2
  • 3
  • Mass fraction - 4 ; Liquid mixture 1
  • Mass fraction - 4 ; 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
  • OTHER
  • OTHER
  • OTHER
  • 30
  • POMD
  • 4
  • 2
  • Mass fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Chromatography
  • 2
  • POMD
  • 4
  • 3
  • Mass fraction - 4 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • OTHER
  • 2
  • POMD
  • 4
  • 3
  • Mass fraction - 4 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • OTHER
  • 3
  • POMD
  • 4
  • 1
  • Mass fraction - 4 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • OTHER
  • 2
  • POMD
  • 4
  • 1
  • Mass fraction - 4 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • OTHER
  • 2