Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Liquid-liquid equilibrium data of water with neohexane, methylcyclohexane, tert-butyl methyl ether, n-heptane and vapor -liquid-liquid equilibrium with methane

Susilo, R., Lee, J. D., Englezos, P.[Peter]
Fluid Phase Equilib. 2005, 231, 1, 20-26
ABSTRACT
Liquid liquid equilibrium (LLE) data for non-aqueous liquid (neohexane [NH], tert-butyl methyl ether [TBME], methylcyclohexane MCH], or n-heptane [nC7]) and water have been measured under atmospheric pressure at 275.5, 283.15, and 298.15 K. It was found that TBMEis the mostwater soluble followed by NH,MCH,and nC7.As the temperature increased, the solubility of the non-aqueous liquids (NALs) water decreased. The solubility of water in the non-aqueous liquid was found to increase in the following order: MCHless than nC7 less thanNHless than TBME. was found to increase with increasing temperature. In addition, vapour liquid liquid equilibrium (VLLE) data for the above binary systems with methane were measured at 275.5K and at 120, 1000, and 2000 kPa. It was found that the vapour composition of water and NALs decreased as the pressure increased. The water content in the non-aqueous phase was not a strong function of pressure. The concentration of methane in the non-aqueous phase increased as the pressure increased. Furthermore, the concentration of the methane and NALs in the water phase increased proportionally with pressure. The solubility of methane in water followed Henry s law. It is noted that the measurements were completed prior to the onset of hydrate nucleation.
Compounds
# Formula Name
1 C6H14 2,2-dimethylbutane
2 H2O water
3 C5H12O 2-methoxy-2-methylpropane
4 C7H14 methylcyclohexane
5 C7H16 heptane
6 CH4 methane
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
  • Mole fraction - 1 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • 3
  • POMD
  • 1
  • 2
  • Mole fraction - 2 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • 3
  • POMD
  • 3
  • 2
  • Mole fraction - 3 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • 3
  • POMD
  • 3
  • 2
  • Mole fraction - 2 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • 3
  • POMD
  • 4
  • 2
  • Mole fraction - 4 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • 3
  • POMD
  • 4
  • 2
  • Mole fraction - 2 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • 3
  • POMD
  • 5
  • 2
  • Mole fraction - 5 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • 3
  • POMD
  • 5
  • 2
  • Mole fraction - 2 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • 3
  • POMD
  • 6
  • 1
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid mixture 1
  • Mole fraction - 6; Gas
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Gas
  • Closed cell (Static) method
  • 3
  • POMD
  • 6
  • 1
  • 2
  • Mole fraction - 6 ; Liquid mixture 1
  • Mole fraction - 6; Gas
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Gas
  • Liquid mixture 2
  • Chromatography
  • 3
  • POMD
  • 6
  • 1
  • 2
  • Mole fraction - 6 ; Liquid mixture 2
  • Mole fraction - 6; Gas
  • Temperature, K; Liquid mixture 2
  • Liquid mixture 2
  • Gas
  • Liquid mixture 1
  • Chromatography
  • 3
  • POMD
  • 6
  • 1
  • 2
  • Mole fraction - 2 ; Gas
  • Mole fraction - 6; Gas
  • Temperature, K; Gas
  • Gas
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • 3
  • POMD
  • 6
  • 1
  • 2
  • Mole fraction - 2 ; Liquid mixture 1
  • Mole fraction - 6; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Gas
  • Chromatography
  • 3
  • POMD
  • 6
  • 1
  • 2
  • Mole fraction - 2 ; Liquid mixture 2
  • Mole fraction - 6; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Gas
  • Chromatography
  • 3
  • POMD
  • 6
  • 3
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid mixture 1
  • Mole fraction - 6; Gas
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Gas
  • Closed cell (Static) method
  • 3
  • POMD
  • 6
  • 3
  • 2
  • Mole fraction - 6 ; Liquid mixture 1
  • Mole fraction - 6; Gas
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Gas
  • Liquid mixture 2
  • Chromatography
  • 3
  • POMD
  • 6
  • 3
  • 2
  • Mole fraction - 6 ; Liquid mixture 2
  • Mole fraction - 6; Gas
  • Temperature, K; Liquid mixture 2
  • Liquid mixture 2
  • Gas
  • Liquid mixture 1
  • Chromatography
  • 3
  • POMD
  • 6
  • 3
  • 2
  • Mole fraction - 2 ; Gas
  • Mole fraction - 6; Gas
  • Temperature, K; Gas
  • Gas
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • 3
  • POMD
  • 6
  • 3
  • 2
  • Mole fraction - 2 ; Liquid mixture 1
  • Mole fraction - 6; Gas
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Gas
  • Chromatography
  • 3
  • POMD
  • 6
  • 3
  • 2
  • Mole fraction - 2 ; Liquid mixture 2
  • Mole fraction - 6; Gas
  • Temperature, K; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Gas
  • Chromatography
  • 3
  • POMD
  • 6
  • 5
  • 2
  • Vapor or sublimation pressure, kPa ; Gas
  • Mole fraction - 6; Gas
  • Temperature, K; Gas
  • Gas
  • Liquid mixture 1
  • Liquid mixture 2
  • Closed cell (Static) method
  • 3
  • POMD
  • 6
  • 5
  • 2
  • Mole fraction - 6 ; Liquid mixture 1
  • Mole fraction - 6; Gas
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Gas
  • Liquid mixture 2
  • Chromatography
  • 3
  • POMD
  • 6
  • 5
  • 2
  • Mole fraction - 6 ; Liquid mixture 2
  • Mole fraction - 6; Gas
  • Temperature, K; Liquid mixture 2
  • Liquid mixture 2
  • Gas
  • Liquid mixture 1
  • Chromatography
  • 3
  • POMD
  • 6
  • 5
  • 2
  • Mole fraction - 2 ; Gas
  • Mole fraction - 6; Gas
  • Temperature, K; Gas
  • Gas
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • 3
  • POMD
  • 6
  • 5
  • 2
  • Mole fraction - 2 ; Liquid mixture 1
  • Mole fraction - 6; Gas
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Gas
  • Chromatography
  • 3
  • POMD
  • 6
  • 5
  • 2
  • Mole fraction - 2 ; Liquid mixture 2
  • Mole fraction - 6; Gas
  • Temperature, K; Liquid mixture 2
  • Liquid mixture 2
  • Gas
  • Liquid mixture 1
  • Chromatography
  • 3
  • POMD
  • 6
  • 4
  • 2
  • Vapor or sublimation pressure, kPa ; Gas
  • Mole fraction - 6; Gas
  • Temperature, K; Gas
  • Gas
  • Liquid mixture 1
  • Liquid mixture 2
  • Closed cell (Static) method
  • 4
  • POMD
  • 6
  • 4
  • 2
  • Mole fraction - 6 ; Liquid mixture 1
  • Mole fraction - 6; Gas
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Gas
  • Liquid mixture 2
  • Chromatography
  • 4
  • POMD
  • 6
  • 4
  • 2
  • Mole fraction - 6 ; Liquid mixture 2
  • Mole fraction - 6; Gas
  • Temperature, K; Liquid mixture 2
  • Liquid mixture 2
  • Gas
  • Liquid mixture 1
  • Chromatography
  • 4
  • POMD
  • 6
  • 4
  • 2
  • Mole fraction - 2 ; Gas
  • Mole fraction - 6; Gas
  • Temperature, K; Gas
  • Gas
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • 4
  • POMD
  • 6
  • 4
  • 2
  • Mole fraction - 2 ; Liquid mixture 1
  • Mole fraction - 6; Gas
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Gas
  • Chromatography
  • 4
  • POMD
  • 6
  • 4
  • 2
  • Mole fraction - 2 ; Liquid mixture 2
  • Mole fraction - 6; Gas
  • Temperature, K; Liquid mixture 2
  • Liquid mixture 2
  • Gas
  • Liquid mixture 1
  • Chromatography
  • 4