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Title: Modelling of phase equilibria for associating mixtures using an equation of state
Authors: Ferreira, Olga
Brignole, Esteban A.
Macedo, Maria E.
Keywords: Phase equilibria
Equation of state
Group-contribution model
Issue Date: 2004
Publisher: Elsevier
Citation: Ferreira, Olga; Brignole, Esteban A.; Macedo, Maria E. (2004) - Modelling of phase equilibria for associating mixtures using an equation of state. Journal Chemical Thermodynamics. ISSN 1520-5134. 36:12, p.1105-1117
Abstract: 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 GCA-EoS model is compared to the group-contribution method MHV2, which does not take into account explicitly association effects. The results obtained with the GCA-EoS model are, in general, more accurate when compared to the ones achieved by the MHV2 equation with less number of parameters. Model predictions are presented for binary self- and cross-associating mixtures.
ISSN: 0021-9614
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Appears in Collections:DTQB - Artigos em Revistas Indexados ao ISI/Scopus

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