Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Measurement of activity coefficients at infinite dilution for acetonitrile, water, limonene, limonene epoxide and their binary pairs

Zapata, R. B.[Rolando Barrera], Villa, A. L.[Aida L.], Montes de Correa, C.[Consuelo]
Fluid Phase Equilib. 2009, 275, 1, 46-51
ABSTRACT
Activity coefficients at infinite dilution were determined for binary pairs of acetonitrile, water, limonene and limonene epoxide at room temperature using the dilutor technique (inert gas stripping) in a homemade dilutor apparatus. The activity coefficients were predicted with the Aspen Plus software using the Dortmund-modified UNIFAC contribution method. Values predicted by software simulations are in good agreement with experimental data. However, experimental activity coefficients at infinite dilution obtained for limonene + acetonitrile, water + limonene and limonene epoxide +water systems are in disagreement with reported values estimated from LLE or solubility data.
Compounds
# Formula Name
1 C2H3N acetonitrile
2 H2O water
3 C10H16 (R)-1-methyl-4-(1-methylethenyl)cyclohexene
4 C10H16O 1-methyl-4-(1-methylethenyl)-7-oxabicyclo[4.1.0]heptane
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
  • Activity coefficient - 1 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Gas
  • inert gas stripping
  • 2
  • POMD
  • 1
  • 2
  • Activity coefficient - 2 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • inert gas stripping
  • 1
  • POMD
  • 1
  • 3
  • Activity coefficient - 1 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Gas
  • inert gas stripping
  • 1
  • POMD
  • 1
  • 3
  • Activity coefficient - 3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Liquid
  • Gas
  • inert gas stripping
  • 1
  • POMD
  • 1
  • 4
  • Activity coefficient - 1 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Gas
  • inert gas stripping
  • 1
  • POMD
  • 1
  • 4
  • Activity coefficient - 4 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 4; Liquid
  • Liquid
  • Gas
  • inert gas stripping
  • 1
  • POMD
  • 3
  • 2
  • Activity coefficient - 3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Liquid
  • Gas
  • inert gas stripping
  • 1
  • POMD
  • 3
  • 2
  • Activity coefficient - 2 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • inert gas stripping
  • 1
  • POMD
  • 4
  • 3
  • Activity coefficient - 4 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 4; Liquid
  • Liquid
  • Gas
  • inert gas stripping
  • 1
  • POMD
  • 4
  • 3
  • Activity coefficient - 3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Liquid
  • Gas
  • inert gas stripping
  • 1
  • POMD
  • 4
  • 2
  • Activity coefficient - 4 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 4; Liquid
  • Liquid
  • Gas
  • inert gas stripping
  • 1
  • POMD
  • 4
  • 2
  • Activity coefficient - 2 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • inert gas stripping
  • 1