Estimation of unknown UNIFAC interaction parameters between thiophene and olefin, and thiol and olefin functional groups

In this study, unknown UNIFAC interaction parameters between thiophene and olefin, and thiol and olefin functional groups are estimated. Experimental results for the activity coefficients for different binary mixtures from reported literature are used in the parameter estimation. The estimated parameters provides excellent predictions of the activity coefficients which validates the values of estimated parameters and also ensures the creditability of the UNIFAC model for mixtures containing these functional groups.