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dc.creatorStefano Lazzari
dc.creatorShaghayegh Hamzehlou
dc.creatorYuri Reyes
dc.creatorJose Ramon Leiza
dc.creatorMário Rui P. F. N. Costa
dc.creatorRolando C. S. Dias
dc.creatorGiuseppe Storti
dc.description.abstractThe predictions of four different models of crosslinking copolymerization,Kinetic Monte Carlo(KMC), statistic/kinetic Flory/Tobita (FT) model, and two kinetic approaches based onpopulation balance equations (PBE) (solved with generating functions (GF) and numericalfractionation (MRNF), respectively), were compared. The approaches underlying more restrictive assumptions but asking for less computational effort, FT and MRNF, lead to verysatisfactory predictions in terms of averageproperties (sol and gel fractions, degrees ofpolymerizations, crosslinking densities). On theother hand, fully detailed models (KMC) as well asmore computationally demanding numericalsolutions of the detailed PBE (GF) become necessary when the chain length distributions arerequired.
dc.relationinfo:eu-repo/grantAgreement/COMISSÃO EUROPEIA/7.º Programa-Quadro de IDT/PITN-GA-2009-238700/Hybrid Models for Tailoring Nano-Architectures of polymers/NANOPOLY
dc.relationinfo:eu-repo/grantAgreement/FCT - Fundação para a Ciência e Tecnologia/Projetos Estratégicos/PEst-C/EQB/LA0020/2013/PROJECTO ESTRATÉGICO - LA 20 - 2013-2014/LA 20
dc.subjectEngenharia química, Engenharia química
dc.subjectChemical engineering, Chemical engineering
dc.titleBulk crosslinking copolymerization: comparison of different modeling approaches
dc.typeArtigo em Revista Científica Internacional
dc.contributor.uportoFaculdade de Engenharia
dc.subject.fosCiências da engenharia e tecnologias::Engenharia química
dc.subject.fosEngineering and technology::Chemical engineering
Appears in Collections:FEUP - Artigo em Revista Científica Internacional

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