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Advisor(s)
Abstract(s)
In the present work an extended UNIFAC group contribution model is used to calculate activity coefficients in solutions containing alcohols,
water, carboxylic acids, esters, alkanes and aromatic hydrocarbons. The limiting expressions for the association contribution to the activity
coefficients at infinite dilution are presented and discussed. A new set of interaction parameters between associating and non-associating
functional groups is reported. This set of parameters is applied in the association model to predict vapor–liquid, liquid–liquid equilibrium and
infinite dilution activity coefficients.
Description
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Keywords
Model Activity coefficient Association Group-contribution
Citation
Ferreira, Olga; Macedo, Maria E.; Bottini, Susana B. (2005). Extension of the A-UNIFAC model to mixtures of cross- and self-associating compounds. Fluid Phase Equilibria. ISSN 0378-3812. 227:2, p.165-176