A comparison of reaction mechanisms for reversible addition-fragmentation chain transfer polymerization using modeling tools

dc.creatorPallares, J
dc.creatorJaramillo-Soto, G
dc.creatorFlores-Catano, C
dc.creatorLima, EV
dc.creatorLona, LMF
dc.creatorPenlidis, A
dc.date2006
dc.dateSEP
dc.date2014-11-19T02:15:42Z
dc.date2015-11-26T17:00:49Z
dc.date2014-11-19T02:15:42Z
dc.date2015-11-26T17:00:49Z
dc.date.accessioned2018-03-28T23:48:37Z
dc.date.available2018-03-28T23:48:37Z
dc.identifierJournal Of Macromolecular Science Part A-pure And Applied Chemistry. Taylor & Francis Inc, v. 43, n. 9, n. 1293, n. 1322, 2006.
dc.identifier1060-1325
dc.identifierWOS:000239089200002
dc.identifier10.1080/10601320600814614
dc.identifierhttp://www.repositorio.unicamp.br/jspui/handle/REPOSIP/52994
dc.identifierhttp://www.repositorio.unicamp.br/handle/REPOSIP/52994
dc.identifierhttp://repositorio.unicamp.br/jspui/handle/REPOSIP/52994
dc.identifier.urihttp://repositorioslatinoamericanos.uchile.cl/handle/2250/1278575
dc.descriptionA kinetic model based on a detailed reaction mechanism of the reversible addition-fragmentation transfer (RAFT) polymerization was developed. By neglecting some reactions, or using simplifying assumptions, three different reaction mechanisms proposed in the literature can be described with this model. The resulting equations were solved using a self-developed Fortran code. The cases were also modeled using the Predici trademark commercial software. Parameter sensitivity analyses and a comparison of performance of the models for the different reaction mechanisms are presented. It was found that the simplest reaction mechanisms considered in this paper cannot adequately describe the behavior of the RAFT polymerization process. It is demonstrated that the controversy in the literature regarding the "six orders of magnitude difference in the fragmentation rate coefficient, and the "concern about the "validity of the commercial software package Predici trademark to represent the RAFT mechanism have nothing to do with model inadequacy or the alluded "empirical nature of Predici trademark . Rather, these issues are merely a matter of not having precise parameter estimates in a very complex, multi-parameter model, where similar model profiles can be generated with different combinations of model parameters.
dc.description43
dc.description9
dc.description1293
dc.description1322
dc.languageen
dc.publisherTaylor & Francis Inc
dc.publisherPhiladelphia
dc.publisherEUA
dc.relationJournal Of Macromolecular Science Part A-pure And Applied Chemistry
dc.relationJ. Macromol. Sci. Part A-Pure Appl. Chem.
dc.rightsfechado
dc.rightshttp://journalauthors.tandf.co.uk/permissions/reusingOwnWork.asp
dc.sourceWeb of Science
dc.subjectcontrolled/living radical polymerization (CLRP)
dc.subjectreversible addition fragmentation transfer (RAFT) polymerization
dc.subjectmodeling
dc.subjectpolymerization kinetics
dc.subjectLiving Radical Polymerization
dc.subjectRaft Polymerization
dc.subjectMethyl-methacrylate
dc.subjectRate Coefficient
dc.subjectStyrene
dc.subjectKinetics
dc.subjectRetardation
dc.subjectSimulations
dc.subjectTermination
dc.subjectMagnitude
dc.titleA comparison of reaction mechanisms for reversible addition-fragmentation chain transfer polymerization using modeling tools
dc.typeArtículos de revistas


Este ítem pertenece a la siguiente institución