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

Liquid-Liquid Equilibria for the Ternary Systems Water + Cyclohexanol + Methyl Isobutyl Carbinol and Water + Cyclohexanol + Methyl Isobutyl Ketone at Different Temperatures

Liu, Hai, Yu, Xuemin, Cui, Peng, Jia, Bing, Yu, Yingmin, Li, Qingsong
J. Chem. Eng. Data 2018, 63, 1, 95-101
ABSTRACT
Liquid-liquid equilibria (LLE) data provide fundamental for the design and simulation of an extraction operation. The objective of this work is to extract cyclohexanol from aqueous solution using appropriate solvents. Liquid-liquid extractions for two ternary systems comprised of water + cyclohexanol + solvents (methyl iso-butyl carbinol, MIBC) as well as methyl iso-butyl ketone, MIBK) were carried out at 303.15 K, 323.15 K and 308.15 K, 318.15 K, respectively. Distribution coefficient (D) and selectivity value (S) were employed to assess the separation capability of MIBC and MIBK. The Hand and Bachman empirical equations were both used to ascertain the consistency of the experimental results. The nonrandom two-liquid model (NRTL) and the universal quasi-chemical model (UNIQUAC) were applied to fit the obtained LLE results and yielded corresponding binary interaction parameters. Moreover, the root-mean-square deviation (rmsd) values were evaluated for two studied ternary systems, demonstrating both two models can regress the experimental data well.
Compounds
# Formula Name
1 H2O water
2 C6H12O 4-methylpentan-2-one
3 C6H14O 4-methyl-2-pentanol
4 C6H12O cyclohexanol
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
  • 4
  • 3
  • Mole fraction - 4 ; Liquid mixture 2
  • Mole fraction - 1 ; Liquid mixture 1
  • Mole fraction - 4 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Mole fraction - 1; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • Chromatography
  • Chromatography
  • 16
  • POMD
  • 1
  • 4
  • 2
  • Mole fraction - 1 ; Liquid mixture 2
  • Mole fraction - 4 ; Liquid mixture 1
  • Mole fraction - 1 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Mole fraction - 4; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • Chromatography
  • Chromatography
  • 18