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Extension of the A-UNIFAC model to mixtures of cross- and self-associating comp...
Ferreira, Olga; Macedo, Maria E.; Bottini, Susana B.http://apps.isiknowledge.com/full_record.do?product=UA&search_mode=GeneralSearch&qid=4&SID=V21Di6PajaHLPoM3@AJ&page=1&doc=1&colname=WOS ; 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 a...
Effectiveness factor for immobilized biocatalysts: two substratestwo products r...
Ribeiro, Adriano S.; Ferreira, Olga; Macedo, Maria E.; Loureiro, José M.Immobilized enzymes are being increasingly used as biocatalysts in numerous processes to obtain high-value products for the pharmaceutical, flavour and fragrance industries (Gandhi et al., 2000). The major advantages of immobilization include the increase in enzyme stability, the possibility of enzyme reutilization and the easy separation of the biocatalysts from the reaction mixture. However, it is necessary t...
Modelling of phase equilibria for associating mixtures using an equation of state
Ferreira, Olga; Brignole, Esteban A.; Macedo, Maria E.In the present work, the group contribution with association equation of state (GCA-EoS) is extended to represent phase equilibria in mixtures containing acids, esters, and ketones, with water, alcohols, and any number of inert components. Association effects are represented by a group-contribution approach. Self- and cross-association between the associating groups present in these mixtures are considered. The...
Phase equilibria in sugar solutions using the A-UNIFAC model
Ferreira, Olga; Brignole, Esteban A.; Macedo, Maria E.http://apps.isiknowledge.com/full_record.do?product=UA&search_mode=GeneralSearch&qid=2&SID=V21Di6PajaHLPoM3@AJ&page=1&doc=1&colname=WOS ; In this work, a modified UNIFAC model that explicitly takes into account association effects is used to describe the thermodynamic properties of phase equilibria of mixtures containing common sugars, alcohols, and water. Three main groups were defined to represent the sugars...
An association UNIFAC model for aqueous and alcohol solutions of sugars
Ferreira, Olga; Macedo, Maria E.In this work, a modified UNIFAC model [1] that explicitly takes into account association effects is applied to mixtures containing common sugars, alcohols and water. Following the same strategy adopted before [2], four residual groups were defined to represent the sugars family: the pyranose ring (PYR), the furanose ring (FUR), the osidic bond (-O-) and the hydroxyl ring group (OH ring) [2]. For the association...
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