Phase equilibria modeling of biodiesel related mixtures using the GCA-EoS model |
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Authors: | Alfonsina E Andreatta Rafael Lugo Jean-Charles de Hemptinne Esteban A Brignole Susana B Bottini |
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Institution: | 1. Planta Piloto de Ingeniería Química – PLAPIQUI - Universidad Nacional del Sur – CONICET, Camino La Carrindanga Km 7 – CC 717, Bahía Blanca, Argentina;2. IFP – Direction Chimie et Physico-Chimie Appliquées, 1 & 4 av de Bois Préau, 92852 Rueil, Malmaison, France |
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Abstract: | 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 take into consideration the association effects 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. New pure-group, binary interaction and association parameters have been determined. The correlations and predictions of the model are found in acceptable agreement with selected experimental data reported in the literature. |
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