Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Limiting activity coefficients in binary mixtures of 1-alkanols and ethylbenzene

Vrbka, P.[Pavel], Dohnal, V.[Vladimir]
Fluid Phase Equilib. 2008, 263, 1, 64-70
ABSTRACT
Limiting activity coefficients in binary mixtures of six lower 1-alkanols (C1 C6) and ethylbenzene were determined employing alternatively the techniques of inert gas stripping and comparative ebulliometry. For each case, the suitable technique was chosen on the basis of the limiting relative volatility of the solute. Measurements were typically carried out at four temperatures covering a range of 30K and were done with a good precision (1 3%). The new data were compared with available literature information on both the activity coefficient and calorimetric partial molar excess enthalpy at infinite dilution. All the critically evaluated information was merged and processed simultaneously to produce the recommended temperature dependences of the limiting activity coefficients. The performance of leading prediction methods (UNIFAC, modified UNIFAC, ASOG, MOSCED, DISQUAC) was further examined using this data.
Compounds
# Formula Name
1 CH4O methanol
2 C3H8O propan-1-ol
3 C4H10O butan-1-ol
4 C2H6O ethanol
5 C5H12O pentan-1-ol
6 C8H10 ethylbenzene
7 C6H14O hexan-1-ol
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
  • 6
  • Activity coefficient - 1 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 4
  • POMD
  • 1
  • 6
  • Activity coefficient - 6 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 6; Liquid
  • Liquid
  • Gas
  • Differential ebulliometry
  • 4
  • POMD
  • 4
  • 6
  • Activity coefficient - 4 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 4; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 4
  • POMD
  • 4
  • 6
  • Activity coefficient - 6 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 6; Liquid
  • Liquid
  • Gas
  • Differential ebulliometry
  • 4
  • POMD
  • 2
  • 6
  • Activity coefficient - 2 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 4
  • POMD
  • 2
  • 6
  • Activity coefficient - 6 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 6; Liquid
  • Liquid
  • Gas
  • Differential ebulliometry
  • 4
  • POMD
  • 3
  • 6
  • Activity coefficient - 3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 3
  • POMD
  • 3
  • 6
  • Activity coefficient - 3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Liquid
  • Gas
  • Differential ebulliometry
  • 2
  • POMD
  • 3
  • 6
  • Activity coefficient - 6 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 6; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 1
  • POMD
  • 3
  • 6
  • (Relative) activity - 6 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 6; Liquid
  • Liquid
  • Gas
  • Differential ebulliometry
  • 4
  • POMD
  • 5
  • 6
  • Activity coefficient - 5 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 5; Liquid
  • Liquid
  • Gas
  • Differential ebulliometry
  • 5
  • POMD
  • 5
  • 6
  • Activity coefficient - 6 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 6; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 1
  • POMD
  • 6
  • 7
  • Activity coefficient - 6 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 6; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 1
  • POMD
  • 6
  • 7
  • Activity coefficient - 7 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 7; Liquid
  • Liquid
  • Gas
  • Differential ebulliometry
  • 5