The performance of UNIFAC and related group contribution models part I. Prediction of infinite dilution activity coefficients

Abstract

Infinite dilution activity coefficients have been calculated for 24 systems including highly non-ideal and nearly non-ideal using original, modified UNIFAC and UNIFAC-FV models. The calculations are compared with experimental results. The performance of the models in predictions and the significance of free volume effects on solvent activities in solutions containing small compounds are discussed.