Application of molecular modeling to the vapor–liquid equilibrium of alkyl esters (biodiesel) and alcohols systems
dc.citation.firstpage | 34 | |
dc.citation.journalTitle | Fuel | |
dc.citation.lastpage | 42 | |
dc.citation.volumeNumber | 161 | |
dc.contributor.author | Corazza, Marcos L. | |
dc.contributor.author | Fouad, Wael A. | |
dc.contributor.author | Chapman, Walter G. | |
dc.date.accessioned | 2015-10-27T18:12:09Z | |
dc.date.available | 2015-10-27T18:12:09Z | |
dc.date.issued | 2015 | |
dc.description.abstract | This 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. | |
dc.identifier.citation | Corazza, 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. | |
dc.identifier.doi | http://dx.doi.org/10.1016/j.fuel.2015.08.003 | |
dc.identifier.uri | https://hdl.handle.net/1911/81934 | |
dc.language.iso | eng | |
dc.publisher | Elsevier | |
dc.rights | This is an author's peer-reviewed final manuscript, as accepted by the publisher. The published article is copyrighted by Elsevier. | |
dc.subject.keyword | PC-SAFT | |
dc.subject.keyword | biodiesel | |
dc.subject.keyword | alcohols | |
dc.subject.keyword | VLE | |
dc.subject.keyword | thermodynamic modeling | |
dc.title | Application of molecular modeling to the vapor–liquid equilibrium of alkyl esters (biodiesel) and alcohols systems | |
dc.type | Journal article | |
dc.type.dcmi | Text | |
dc.type.publication | post-print |
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