Modeling alcohol+water+hydrocarbon mixtures with the group contribution with association equation of state GCA-EoS

Abstract

The growing interest on first- and second-generation biofuels requires the development of thermodynamic tools with predictive capacity for mixtures containing a wide variety of organo-oxygenated compounds, water and hydrocarbons. Modeling this type of mixtures is challenging due to the presence of association and solvation effects. In this work, we present a revision of the group contribution with association equation of state (GCA-EoS) parameters, with the purpose of extending and improving the predictive capacity of the model for systems containing water, alcohols and hydrocarbons. © 2010 Elsevier B.V.