Corazza, Marcos L.Fouad, Wael A.Chapman, Walter G.2015-10-272015-10-272015Corazza, Marcos L., Fouad, Wael A. and Chapman, Walter G.. "Application of molecular modeling to the vapor–liquid equilibrium of alkyl esters (biodiesel) and alcohols systems." <i>Fuel,</i> 161, (2015) Elsevier: 34-42. http://dx.doi.org/10.1016/j.fuel.2015.08.003.https://hdl.handle.net/1911/81934This work is focused on the thermodynamic modeling of systems related to biodiesel processing using the Perturbed Chain form of the Statistical Associating Fluid Theory (PC-SAFT). Different binary ester + ester and methanol or ethanol + ester systems were investigated. The PC-SAFT equation of state was able to predict the vapor–liquid equilibrium and solid–liquid equilibrium of different esters + esters binary systems. Furthermore, using a transferable cross-association parameters approach, the phase behavior of alcohols + alkyl esters of biodiesel was successfully predicted for a wide range of pressure and temperature conditions. Polar interactions seem to play a minor role in determining the phase behavior of mixtures considered in this work.engThis is an author's peer-reviewed final manuscript, as accepted by the publisher. The published article is copyrighted by Elsevier.Journal articlePC-SAFTbiodieselalcoholsVLEthermodynamic modelinghttp://dx.doi.org/10.1016/j.fuel.2015.08.003