Prediction of vapor–liquid equilibria of binary systems containing esters by using Wilson equation with parameters estimated from pure-component properties

A simple procedure has been proposed to estimate the Wilson parameters from molecular structures and pure-component properties. To evaluate the interaction energies due to attractive force between unlike molecules, the interaction parameters are required. These parameters can be obtained by using the empirical equations developed in this study with normal boiling points and solubility parameters. The procedure has been applied to binary mixtures containing various esters including isomers (ester + hydrocarbon and ester + alcohol) and it is found that vapor–liquid equilibria of the mixtures can successfully be predicted from pure-component properties alone.