PHASE EQUILIBRIA MODELING OF BIODIESEL RELATED MIXTURES USING THE GCA-EOS MODEL

ALFONSINA ESTER ANDREATTA; RAFAEL LUGO; JEAN-CHARLES DE HEMPTINNE; ESTEBAN A. BRIGNOLE; SUSANA B. BOTTINI

Praia da Rocha, Portugal

Congreso; EQUIFASE 2009; 2009

In this work, a group-contribution equation of state that takes into account association effects (GCA-EoS) is extended to model the phase behavior of fatty esters (biodiesel) in binary mixtures with glycerol, alcohols and water and ternary mixtures with glycerol and methanol. A new associating group (glycerol hydroxyl group: OHgly) was defined to represent the association present in the glycerol molecule. Self-association of methanol, water and glycerol and cross-association between methanol-glycerol; alcohol-ester, water-ester and glycerol-ester groups were considered. News pure groups, binary interactions and association parameters have been determined. The correlations and predictions of the model are found in acceptable agreement with selected experimental data reported from the literature.