Simulation of the Equilibrium Constant Effect on the Kinetics and Average Properties of Polystyrene Obtained by ATRP

dc.creatorVieira, RP
dc.creatorOssig, A
dc.creatorPerez, JM
dc.creatorGrassi, VG
dc.creatorPetzhold, CL
dc.creatorPeres, A
dc.creatorCosta, JM
dc.creatorLona, LMF
dc.date2013
dc.dateDEC
dc.date2014-07-30T19:57:45Z
dc.date2015-11-26T16:57:03Z
dc.date2014-07-30T19:57:45Z
dc.date2015-11-26T16:57:03Z
dc.date.accessioned2018-03-28T23:44:33Z
dc.date.available2018-03-28T23:44:33Z
dc.identifierJournal Of The Brazilian Chemical Society. Soc Brasileira Quimica, v. 24, n. 12, n. 2008, n. 2014, 2013.
dc.identifier0103-5053
dc.identifier1678-4790
dc.identifierWOS:000328703200015
dc.identifier10.5935/0103-5053.20130251
dc.identifierhttp://www.repositorio.unicamp.br/jspui/handle/REPOSIP/74180
dc.identifierhttp://repositorio.unicamp.br/jspui/handle/REPOSIP/74180
dc.identifier.urihttp://repositorioslatinoamericanos.uchile.cl/handle/2250/1277552
dc.descriptionThis article uses simulations to study the atom transfer radical polymerization by analyzing the behavior of the chemical species ("living", "dormant" and "dead" polymers). For this, a mathematical model has been developed using the method of moments, and experimental data from styrene polymerization, obtained from literature, were used to validate the model. From this point, the concentration profiles of all species were obtained, and later on, they were used to obtain the average properties of polymers (Mn and PDI). The properties were evaluated at different values of equilibrium constant (K-eq) and it was found that values around 10(-7) and 10(-9) provide a better control in the structure of polymers. Therefore, this study is a starting point for selecting the optimal catalytic system, binders and initiators. In addition, the modeling technique presented as a useful tool, being very effective on the analysis of ATRP processes.
dc.description24
dc.description12
dc.description2008
dc.description2014
dc.descriptionPETROBRAS
dc.languageen
dc.publisherSoc Brasileira Quimica
dc.publisherSao Paulo
dc.publisherBrasil
dc.relationJournal Of The Brazilian Chemical Society
dc.relationJ. Braz. Chem. Soc.
dc.rightsaberto
dc.sourceWeb of Science
dc.subjectATRP
dc.subjectequilibrium constant
dc.subjectcontrolled polymerization
dc.subjectkinetic simulation
dc.subjectTransfer Radical Polymerization
dc.subjectChain-end Functionality
dc.subjectMolecular-weight
dc.subjectArget Atrp
dc.subjectStyrene
dc.subjectMiniemulsion
dc.subjectInitiators
dc.subjectSemibatch
dc.subjectBatch
dc.titleSimulation of the Equilibrium Constant Effect on the Kinetics and Average Properties of Polystyrene Obtained by ATRP
dc.typeArtículos de revistas


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