A New Unifac Parameterization For The Prediction Of Liquid-liquid Equilibrium Of Biodiesel Systems

dc.creatorBessa
dc.creatorLarissa C. B. A.; Ferreira
dc.creatorMarcela C.; Abreu
dc.creatorCharlles R. A.; Batista
dc.creatorEduardo A. C.; Meirelles
dc.creatorAntonio J. A.
dc.date2016
dc.dateout
dc.date2017-11-13T13:57:23Z
dc.date2017-11-13T13:57:23Z
dc.date.accessioned2018-03-29T06:10:42Z
dc.date.available2018-03-29T06:10:42Z
dc.identifierFluid Phase Equilibria. Elsevier Science Bv, v. 425, p. 98 - 107, 2016.
dc.identifier0378-3812
dc.identifier1879-0224
dc.identifierWOS:000382341700014
dc.identifier10.1016/j.fluid.2016.05.020
dc.identifierhttp://www.sciencedirect.com/science/article/pii/S037838121630245X
dc.identifierhttp://repositorio.unicamp.br/jspui/handle/REPOSIP/330007
dc.identifier.urihttp://repositorioslatinoamericanos.uchile.cl/handle/2250/1367032
dc.descriptionCoordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)
dc.descriptionFundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
dc.descriptionConselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
dc.descriptionThe environmental adversities and the global concern about the conservation of non-renewable natural resources have stimulated a search for environmentally friendly energy sources. In this context, biodiesel has emerged as an important alternative to replace fossil fuels, due to its renewability, non-toxicity and biodegradability. Modeling, simulation and design of unit operations involved in the production of edible oils and biodiesel require knowledge of phase equilibrium. Several versions of the UNIFAC model are frequently used for process design when experimental determination of phase equilibrium data is difficult or time-consuming. In this work, the original UNIFAC model parameters are first checked for their predictive capability and then modified in terms of new readjusted binary interaction parameters. It was noted that the UNIFAC model without any changes in its parameters results in inadequate predictions. Thus, in order to obtain a good predictive tool, a comprehensive liquid-liquid equilibrium data bank of systems present in biodiesel production was organized and new UNIFAC interaction parameters were adjusted. At first, the molecules were divided into UNIFAC traditional structural groups. However, this first approach resulted in poor prediction, probably as a consequence of the strongly polar hydroxyl groups bonded to the consecutive carbon atoms of glycerol and acylglycerol molecules. Thus, a new group ('OHgly') was introduced and two matrices of parameters were adjusted. In general, satisfactory predictions were obtained and a significant improvement in the "performance of this group contribution model has been achieved. (C) 2016 Elsevier B.V. All rights reserved.
dc.description425
dc.description98
dc.description107
dc.descriptionCAPES
dc.descriptionFAPESP [08/56258-8, 09/54137-1]
dc.descriptionFAEPEX/UNICAMP
dc.descriptionCNPq [483340/2012-0, 406856/2013-3, 305870/2014-9, 309780/2014-4]
dc.descriptionCoordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)
dc.descriptionFundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
dc.descriptionConselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
dc.languageEnglish
dc.publisherElsevier Science BV
dc.publisherAmsterdam
dc.relationFluid Phase Equilibria
dc.rightsfechado
dc.sourceWOS
dc.subjectLiquid-liquid Equilibrium
dc.subjectBiodiesel
dc.subjectModeling
dc.subjectUnifac
dc.subjectProximity Effects
dc.titleA New Unifac Parameterization For The Prediction Of Liquid-liquid Equilibrium Of Biodiesel Systems
dc.typeArtículos de revistas


Este ítem pertenece a la siguiente institución