Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

VLE and LLE in ternary systems of two associating components (water, aniline, and cyclohexylamine) and a hydrocarbon (cyclohexane or methylcyclohexane)

Klauck, M.[Mandy], Silbermann, R.[Rico], Metasch, R.[Robert], Jasinowski, T.[Tatjana], Kalies, G.[Grit], Schmelzer, J.[Jurgen]
Fluid Phase Equilib. 2014, 369, 95-108
ABSTRACT
The isothermal vapour-liquid equilibria (VLE) of the five ternary mixtures water + cyclohexane + aniline (A), water + cyclohexane + cyclohexylamine (B), water + methylcyclohexane + aniline (D), water + methylcyclohexane + cyclohexylamine (E), and methylcyclohexane + aniline + CHA (F) with industrial relevance were determined at temperatures between 333.15 K and 363.15 K at reduced pressures. Additionally, the liquid-liquid equilibria (LLE) of the four ternary systems (B), (D), (E), and cyclohexane + aniline + cyclohexylamine (C) were determined at temperatures between 298.15 K and 333.15 K at atmospheric pressure. In total, 185 LLE and 121 VLE measurement points are presented and discussed. The experimental results were compared with the predictions of the activity coefficient models UNIQUAC and NRTL, and of the equation of state proposed by Elliott, Suresh, and Donohue (ESD EOS) based on binary interaction parameters. In order to estimate the binary parameters required for calculation, the VLE of the binary cyclohexane + aniline (G) system was measured at 333.15 K and 353.15 K at reduced pressures. Furthermore, the prediction results of the group contribution method modified UNIFAC (Dortmund) are included. Interaction parameters of new amine group at cycloaliphatic hydrocarbon have been used in the calculation.
Compounds
# Formula Name
1 H2O water
2 C6H12 cyclohexane
3 C7H14 methylcyclohexane
4 C6H7N aniline
5 C6H13N cyclohexylamine
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
  • 2
  • 1
  • Mole fraction - 1 ; Liquid
  • Mole fraction - 2 ; Gas
  • Mole fraction - 1 ; Gas
  • Temperature, K; Gas
  • Pressure, kPa; Gas
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • Chromatography
  • Chromatography
  • Chromatography
  • 20
  • POMD
  • 5
  • 2
  • 1
  • Mole fraction - 2 ; Liquid mixture 1
  • Mole fraction - 1; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 6
  • POMD
  • 5
  • 2
  • 1
  • Mole fraction - 2 ; Liquid
  • Mole fraction - 2 ; Gas
  • Mole fraction - 1 ; Gas
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Gas
  • Chromatography
  • Chromatography
  • Chromatography
  • 19
  • POMD
  • 5
  • 2
  • 1
  • Mole fraction - 2 ; Liquid mixture 2
  • Mole fraction - 2 ; Liquid mixture 1
  • Mole fraction - 1 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Mole fraction - 1; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • Chromatography
  • Chromatography
  • 17
  • POMD
  • 5
  • 2
  • 1
  • Mole fraction - 1 ; Liquid mixture 3
  • Mole fraction - 2 ; Liquid mixture 3
  • Mole fraction - 1 ; Liquid mixture 2
  • Mole fraction - 2 ; Liquid mixture 2
  • Mole fraction - 1 ; Liquid mixture 1
  • Mole fraction - 2 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 3
  • Liquid mixture 2
  • Liquid mixture 1
  • Titration method
  • Titration method
  • Titration method
  • Titration method
  • Titration method
  • Titration method
  • 3
  • POMD
  • 4
  • 5
  • 2
  • Mole fraction - 4 ; Liquid mixture 1
  • Mole fraction - 2; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 12
  • POMD
  • 4
  • 5
  • 2
  • Mole fraction - 4 ; Liquid mixture 1
  • Mole fraction - 4 ; Liquid mixture 2
  • Mole fraction - 2 ; Liquid mixture 2
  • Mole fraction - 2; Liquid mixture 1
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • Chromatography
  • Chromatography
  • 7
  • POMD
  • 4
  • 3
  • 1
  • Mole fraction - 3 ; Liquid mixture 1
  • Mole fraction - 1; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • 9
  • POMD
  • 4
  • 3
  • 1
  • Mole fraction - 3 ; Liquid mixture 1
  • Mole fraction - 3 ; Liquid mixture 2
  • Mole fraction - 1 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Mole fraction - 1; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • Chromatography
  • Chromatography
  • 8
  • POMD
  • 4
  • 3
  • 1
  • Mole fraction - 1 ; Liquid mixture 3
  • Mole fraction - 3 ; Liquid mixture 3
  • Mole fraction - 3 ; Liquid mixture 2
  • Mole fraction - 1 ; Liquid mixture 2
  • Mole fraction - 3 ; Liquid mixture 1
  • Mole fraction - 1 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 3
  • Liquid mixture 2
  • Liquid mixture 1
  • Titration method
  • Titration method
  • Titration method
  • Titration method
  • Titration method
  • Titration method
  • 9
  • POMD
  • 4
  • 3
  • 1
  • Mole fraction - 1 ; Liquid
  • Mole fraction - 1 ; Gas
  • Mole fraction - 3 ; Gas
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 3; Liquid
  • Liquid
  • Gas
  • Titration method
  • Titration method
  • Titration method
  • 16
  • POMD
  • 3
  • 5
  • 1
  • Mole fraction - 3 ; Liquid mixture 1
  • Mole fraction - 3 ; Liquid mixture 2
  • Mole fraction - 1 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Mole fraction - 1; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • Chromatography
  • Chromatography
  • 23
  • POMD
  • 3
  • 5
  • 1
  • Mole fraction - 3 ; Liquid mixture 1
  • Mole fraction - 1 ; Liquid mixture 1
  • Mole fraction - 1 ; Liquid mixture 2
  • Mole fraction - 3 ; Liquid mixture 2
  • Mole fraction - 1 ; Liquid mixture 3
  • Mole fraction - 3 ; Liquid mixture 3
  • Temperature, K; Liquid mixture 3
  • Pressure, kPa; Liquid mixture 3
  • Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 3
  • Chromatography
  • Chromatography
  • Chromatography
  • Chromatography
  • Chromatography
  • Chromatography
  • 4
  • POMD
  • 3
  • 5
  • 1
  • Mole fraction - 3 ; Liquid
  • Mole fraction - 3 ; Gas
  • Mole fraction - 1 ; Gas
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Gas
  • Chromatography
  • Chromatography
  • Chromatography
  • 24
  • POMD
  • 4
  • 3
  • 5
  • Mole fraction - 4 ; Liquid
  • Mole fraction - 4 ; Gas
  • Mole fraction - 3 ; Gas
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 3; Liquid
  • Liquid
  • Gas
  • Chromatography
  • Chromatography
  • Chromatography
  • 21
  • POMD
  • 4
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 2; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 21
  • POMD
  • 4
  • 2
  • Mole fraction - 2 ; Gas
  • Mole fraction - 2; Liquid
  • Temperature, K; Liquid
  • Gas
  • Liquid
  • Titration method
  • 21
  • POMD
  • 4
  • 2
  • Mole fraction - 4 ; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 1
  • POMD
  • 4
  • 1
  • Mole fraction - 1 ; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 1