Thermodynamic simulation of transesterification reaction by Gibbs energy minimization

dc.creatorYancy-Caballero, DM
dc.creatorGuirardello, R
dc.date2013
dc.date42064
dc.date2014-07-30T14:06:23Z
dc.date2015-11-26T16:34:48Z
dc.date2014-07-30T14:06:23Z
dc.date2015-11-26T16:34:48Z
dc.date.accessioned2018-03-28T23:17:06Z
dc.date.available2018-03-28T23:17:06Z
dc.identifierFluid Phase Equilibria. Elsevier Science Bv, v. 341, n. 12, n. 22, 2013.
dc.identifier0378-3812
dc.identifierWOS:000316427400003
dc.identifier10.1016/j.fluid.2012.12.013
dc.identifierhttp://www.repositorio.unicamp.br/jspui/handle/REPOSIP/58143
dc.identifierhttp://repositorio.unicamp.br/jspui/handle/REPOSIP/58143
dc.identifier.urihttp://repositorioslatinoamericanos.uchile.cl/handle/2250/1271309
dc.descriptionCoordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)
dc.descriptionIn this study, simultaneous chemical and phase equilibrium calculations were carried out by the method of direct Gibbs energy minimization to perform a thermodynamic analysis of transesterification reaction of soybean oil with both ethanol and methanol in order to improve the processes for producing biodiesel. The CONOPT solver was used to solve the problem as a nonlinear programming model in the GAMS (R) 23.2.1 software. In addition, the UNIFAC model was employed to describe the liquid phase non-idealities. A strategy of balance of radicals is proposed to satisfy the requirement of conservation of number of moles in the specific case of transesterification reaction, in order to take into account the degrees of freedom of reacting system without explicitly writing all individual reactions. The results showed that the use of optimization techniques associated with the GAMS software are useful and efficient tools to calculate the chemical and phase equilibrium by minimizing of the Gibbs energy, provided that different initial guesses are used. Furthermore, the computational times spent in the calculations were quite small. (C) 2012 Elsevier B.V. All rights reserved.
dc.description341
dc.description12
dc.description22
dc.descriptionCoordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)
dc.descriptionCoordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)
dc.languageen
dc.publisherElsevier Science Bv
dc.publisherAmsterdam
dc.publisherHolanda
dc.relationFluid Phase Equilibria
dc.relationFluid Phase Equilib.
dc.rightsfechado
dc.rightshttp://www.elsevier.com/about/open-access/open-access-policies/article-posting-policy
dc.sourceWeb of Science
dc.subjectBiodiesel
dc.subjectGibbs energy minimization
dc.subjectChemical and phase equilibrium
dc.subjectNon-linear programming
dc.subjectGAMS
dc.subjectLiquid-liquid Equilibrium
dc.subjectEthanol Plus Water
dc.subjectBiodiesel Production
dc.subjectVegetable-oils
dc.subjectChemical-equilibrium
dc.subjectAnnealing Algorithm
dc.subjectStability Analysis
dc.subjectPhase-equilibrium
dc.subjectFuel Properties
dc.subjectEthyl-esters
dc.titleThermodynamic simulation of transesterification reaction by Gibbs energy minimization
dc.typeArtículos de revistas


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