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Advisor(s)
Abstract(s)
An extended UNIFAC group contribution model for the prediction of activity coefficients in associating mixtures was presented recently (Mengarelli et al.,1999). In the present work the model is applied to solutions containing alcohols, water, carboxylic acids and inert components. The residual UNIFAC local composition term is re-parameterized in order to take into account only dispersive forces between
associating and inert functional groups. Good representation of vapor-liquid and
liquid-liquid equilibrium, as well as infinite dilution activity coefficients is achieved by using a single set of group interaction parameters.
Description
Keywords
Activity coefficient Association Group contribution
Citation
Foco, Gloria; Ferreira, Olga; Brignole, Esteban A.; Bottini, Susana B. (2001). Extension of UNIFAC to associating systems. In Mercosur Congress on Chemical Engineering - ENPROMER. Santa Fé, USA. p.625-630