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https://hdl.handle.net/10216/103923
Author(s): | Stefano Lazzari Shaghayegh Hamzehlou Yuri Reyes Jose Ramon Leiza Mário Rui P. F. N. Costa Rolando C. S. Dias Giuseppe Storti |
Title: | Bulk crosslinking copolymerization: comparison of different modeling approaches |
Issue Date: | 2014 |
Abstract: | The predictions of four different models of crosslinking copolymerization,Kinetic Monte Carlo (KMC), statistic/kinetic Flory/Tobita (FT) model, and two kinetic approaches based on population balance equations (PBE) (solved with generating functions (GF) and numerical fractionation (MRNF), respectively), were compared. The approaches underlying more restrictive assumptions but asking for less computational effort, FT and MRNF, lead to very satisfactory predictions in terms of average properties (sol and gel fractions, degrees of polymerizations, crosslinking densities). On the other hand, fully detailed models (KMC) as well as more computationally demanding numerical solutions of the detailed PBE (GF) become necessary when the chain length distributions are required. |
Subject: | Engenharia química, Engenharia química Chemical engineering, Chemical engineering |
Scientific areas: | Ciências da engenharia e tecnologias::Engenharia química Engineering and technology::Chemical engineering |
URI: | https://hdl.handle.net/10216/103923 |
Related Information: | info:eu-repo/grantAgreement/COMISSÃO EUROPEIA/7.º Programa-Quadro de IDT/PITN-GA-2009-238700/Hybrid Models for Tailoring Nano-Architectures of polymers/NANOPOLY info:eu-repo/grantAgreement/FCT - Fundação para a Ciência e a Tecnologia/Projetos Estratégicos/PEst-C/EQB/LA0020/2013/PROJECTO ESTRATÉGICO - LA 20 - 2013-2014/LA 20 |
Document Type: | Artigo em Revista Científica Internacional |
Rights: | restrictedAccess |
Appears in Collections: | FEUP - Artigo em Revista Científica Internacional |
Files in This Item:
File | Description | Size | Format | |
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95893.pdf Restricted Access | Lazzari et al., 2014 | 579.77 kB | Adobe PDF | Request a copy from the Author(s) |
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