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

Diffusion Coefficients of Organic Compounds at Infinite Dilution in Mixtures Involving Associating Compounds. Experimental Determination and Modeling by Group Contribution Methods

Safi, A.[Amor], Nicolas, C.[Christophe], Neau, E.[Evelyne], Chevalier, J.-L.[Jean-Louis]
J. Chem. Eng. Data 2008, 53, 2, 444-448
ABSTRACT
Diffusion coefficients of aromatic compounds at infinite dilution in binary mixtures have been measured at 298.15 K with respect to composition using the Taylor dispersion technique. The binary mixtures considered in this work were from alcohols (methanol, ethanol) and acetone with hexane, heptane, cyclohexane, carbon tetrachloride, and chloroform; the aromatic compounds were benzene, benzaldehyde, acetophenone, and phenol. The purpose of this work was to study the influence of the polarity of the binary mixtures on diffusion coefficients. The data were correlated by the Leffler-Cullinan equation, using the measured values of diffusion coefficients in pure solvents and estimating the viscosity of the binary mixtures with group contribution methods. Special attention was paid to the capability of models to take into account the polarity of the mixtures; for this purpose, in addition to the Grunberg-Nissan model, the UNIFAC-VISCO group contribution method was also considered.
Compounds
# Formula Name
1 C6H6 benzene
2 C6H14 hexane
3 C7H16 heptane
4 C6H12 cyclohexane
5 C3H6O acetone
6 CH4O methanol
7 C2H6O ethanol
8 CHCl3 trichloromethane
9 CCl4 tetrachloromethane
10 C7H6O benzaldehyde
11 C8H8O acetophenone
12 C6H6O phenol
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
  • Binary diffusion coefficient, m2/s ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Taylor dispersion method
  • 1
  • POMD
  • 1
  • 3
  • Binary diffusion coefficient, m2/s ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Taylor dispersion method
  • 1
  • POMD
  • 1
  • 4
  • Binary diffusion coefficient, m2/s ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Taylor dispersion method
  • 1
  • POMD
  • 5
  • 1
  • Binary diffusion coefficient, m2/s ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Taylor dispersion method
  • 1
  • POMD
  • 6
  • 1
  • Binary diffusion coefficient, m2/s ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Taylor dispersion method
  • 1
  • POMD
  • 7
  • 1
  • Binary diffusion coefficient, m2/s ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Taylor dispersion method
  • 1
  • POMD
  • 8
  • 1
  • Binary diffusion coefficient, m2/s ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Taylor dispersion method
  • 1
  • POMD
  • 9
  • 1
  • Binary diffusion coefficient, m2/s ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Taylor dispersion method
  • 1
  • POMD
  • 6
  • 10
  • Binary diffusion coefficient, m2/s ; Liquid
  • Mole fraction - 10; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Taylor dispersion method
  • 1
  • POMD
  • 7
  • 10
  • Binary diffusion coefficient, m2/s ; Liquid
  • Mole fraction - 10; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Taylor dispersion method
  • 1
  • POMD
  • 6
  • 11
  • Binary diffusion coefficient, m2/s ; Liquid
  • Mole fraction - 11; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Taylor dispersion method
  • 1
  • POMD
  • 7
  • 11
  • Binary diffusion coefficient, m2/s ; Liquid
  • Mole fraction - 11; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Taylor dispersion method
  • 1
  • POMD
  • 6
  • 12
  • Binary diffusion coefficient, m2/s ; Liquid
  • Mole fraction - 12; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Taylor dispersion method
  • 1
  • POMD
  • 7
  • 12
  • Binary diffusion coefficient, m2/s ; Liquid
  • Mole fraction - 12; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Taylor dispersion method
  • 1
  • POMD
  • 7
  • 1
  • 2
  • Binary diffusion coefficient, m2/s ; Liquid
  • Solvent: Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Taylor dispersion method
  • 10
  • POMD
  • 7
  • 1
  • 3
  • Binary diffusion coefficient, m2/s ; Liquid
  • Solvent: Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Taylor dispersion method
  • 8
  • POMD
  • 7
  • 1
  • 4
  • Binary diffusion coefficient, m2/s ; Liquid
  • Solvent: Mole fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Taylor dispersion method
  • 8
  • POMD
  • 6
  • 8
  • 1
  • Binary diffusion coefficient, m2/s ; Liquid
  • Solvent: Mole fraction - 8; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Taylor dispersion method
  • 10
  • POMD
  • 9
  • 7
  • 1
  • Binary diffusion coefficient, m2/s ; Liquid
  • Solvent: Mole fraction - 9; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Taylor dispersion method
  • 10
  • POMD
  • 6
  • 5
  • 1
  • Binary diffusion coefficient, m2/s ; Liquid
  • Solvent: Mole fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Taylor dispersion method
  • 9
  • POMD
  • 7
  • 5
  • 1
  • Binary diffusion coefficient, m2/s ; Liquid
  • Solvent: Mole fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Taylor dispersion method
  • 10
  • POMD
  • 5
  • 1
  • 2
  • Binary diffusion coefficient, m2/s ; Liquid
  • Solvent: Mole fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Taylor dispersion method
  • 7
  • POMD
  • 5
  • 1
  • 4
  • Binary diffusion coefficient, m2/s ; Liquid
  • Solvent: Mole fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Taylor dispersion method
  • 7
  • POMD
  • 9
  • 5
  • 1
  • Binary diffusion coefficient, m2/s ; Liquid
  • Solvent: Mole fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Taylor dispersion method
  • 10
  • POMD
  • 9
  • 1
  • 4
  • Binary diffusion coefficient, m2/s ; Liquid
  • Solvent: Mole fraction - 9; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Taylor dispersion method
  • 9
  • POMD
  • 7
  • 6
  • 10
  • Binary diffusion coefficient, m2/s ; Liquid
  • Solvent: Mole fraction - 6; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 10; Liquid
  • Liquid
  • Taylor dispersion method
  • 10
  • POMD
  • 7
  • 6
  • 11
  • Binary diffusion coefficient, m2/s ; Liquid
  • Solvent: Mole fraction - 6; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 11; Liquid
  • Liquid
  • Taylor dispersion method
  • 10
  • POMD
  • 7
  • 6
  • 12
  • Binary diffusion coefficient, m2/s ; Liquid
  • Solvent: Mole fraction - 6; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 12; Liquid
  • Liquid
  • Taylor dispersion method
  • 10