Abstract
Activity coefficients at infinite dilution, γ ∞ i, were calculated for 12 solutes, with organic solutes including linear alcohols (methanol, ethanol, propanol), linear alkanes (heptane, octane), benzene, toluene, cyclohexane, 1, 2-dichloroethane, trichloroethylene, acetonitrile and carbon tetrachloride. The values of γ ∞ i were determined via either thermodynamic or artificial neural network modelling at different temperatures. A comparison between extracted results from these two methods confirmed that experimental and predicted results are roughly the same. The accuracy of predicted results proves this model is fully compatible with a wide range of solutes, and it can readily be used as an alternative to conventional gas-liquid chromatography for the measurements of activity coefficient at infinite dilution.
Highlights
The measurements of activity coefficient at infinite dilution (γ∞) are crucially important for either theoretical or practicing chemistry
The chromatographic data has been used in order to determine the values of activity coefficients at infinite dilution by either thermodynamic or Artificial Neural Network (ANN) model
The values of activity coefficients at infinite dilution have been calculated for 12 solutes at different temperatures (308, 313, 318 and 323 K) in three columns with different stationary phase loadings (10%, 15% and 20%)
Summary
The measurements of activity coefficient at infinite dilution (γ∞) are crucially important for either theoretical or practicing chemistry. This parameter describes the behavior of a solute completely surrounded by solvent molecules. Activity coefficients are important for characterizing the behavior of liquid mixtures, predicting the existence of azeotrope, estimation of mutual solubility and calculation of Henry constants and partition coefficients
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