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Kinetic modeling of the molecular architecture of cross-linked copolymers synthesized by controlled radical polymerization techniques

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dc.contributor.authorGonçalves, Miguel A.D.
dc.contributor.authorTrigo, Ivone
dc.contributor.authorDias, Rolando
dc.contributor.authorCosta, Mário Rui
dc.date.accessioned2010-06-08T15:34:47Z
dc.date.available2010-06-08T15:34:47Z
dc.date.issued2010
dc.description.abstractA recently developed general kinetic approach, based on population balances in terms of generating functions, is applied to the modeling of the molecular architecture of branched copolymers produced through controlled radical polymerization (CRP) techniques, namely nitroxide-mediated radical polymerization (NMRP) and atom-transfer radical polymerization (ATRP). Thanks to this method, it is possible to carry out dynamic predictions of distributions of molecular weights, sequence lengths and z-average mean square radius of gyration of the products, both before and after gelation (whenever it occurs) with consideration of complex kinetic schemes. The model chemical systems styrene + divinylbenzene (S/DVB) and methyl methacrylate + ethylene glycol dimethacrylate (MMA/EGDMA) are experimentally investigated in order to assess the prediction capabilities of the aforementioned approach. Measurements of absolute molecular weights and z-average radius of gyration of the copolymers are performed for different times of polymerization using a SEC system with a refractive index detector coupled with MALLS. It is shown that the proposed computational tool can enhance the possibility of better design of these complex materials but additional studies concerning the impact of intramolecular cyclizations on the structure of materials synthesized at diluted conditions are needed.pt
dc.description.sponsorshipFundação para a Ciência e a Tecnologia (FCT), Ministry of Science and Technology of Portugal European Community through FEDER; Grant Number: POCI/EQU/44784/2002, POCI-PPCDT/EQU/60483/2004pt
dc.identifier.citationGonçalves, Miguel; Trigo, Ivone; Dias, Rolando; Costa, Mário (2010). Kinetic modeling of the molecular architecture of cross-linked copolymers synthesized by controlled radical polymerization techniques. Macromolecular Symposia. ISSN 1022-1360. 290:1, p.239-250pt
dc.identifier.doi10.1002/masy.201050528
dc.identifier.issn1022-1360
dc.identifier.urihttp://hdl.handle.net/10198/2293
dc.language.isoengpt
dc.publisherWileypt
dc.subjectBranchingpt
dc.subjectCrosslinkingpt
dc.subjectKineticspt
dc.subjectLiving polymerizationpt
dc.subjectModelingpt
dc.titleKinetic modeling of the molecular architecture of cross-linked copolymers synthesized by controlled radical polymerization techniquespt
dc.typeconference paper
dspace.entity.typePublication
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/3599-PPCDT/PPCDT%2FEQU%2F60483%2F2004/PT
oaire.citation.endPage250pt
oaire.citation.issue291-292pt
oaire.citation.startPage239pt
oaire.citation.titleMacromolecular Symposiapt
oaire.fundingStream3599-PPCDT
person.familyNameDias
person.givenNameRolando
person.identifier.ciencia-id8417-4D84-973B
person.identifier.orcid0000-0001-7369-382X
person.identifier.ridM-8552-2013
person.identifier.scopus-author-id7102885104
project.funder.identifierhttp://doi.org/10.13039/501100001871
project.funder.nameFundação para a Ciência e a Tecnologia
rcaap.rightsopenAccesspt
rcaap.typeconferenceObjectpt
relation.isAuthorOfPublicationd7109687-6adf-4268-a462-8d1a2e2c01cb
relation.isAuthorOfPublication.latestForDiscoveryd7109687-6adf-4268-a462-8d1a2e2c01cb
relation.isProjectOfPublicationd50f6638-d830-436e-a152-f08952d55a88
relation.isProjectOfPublication.latestForDiscoveryd50f6638-d830-436e-a152-f08952d55a88

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