Bulk crosslinking copolymerization: comparison of different modeling approaches

• Type: Article in International Scientific Journal
• Date: 2014

Authors

Stefano Lazzari (Author) Other; Shaghayegh Hamzehlou (Author) Other; Yuri Reyes (Author) Other; Jose Ramon Leiza (Author) Other; Mário Rui P. F. N. Costa (Author) FEUP; Rolando C. S. Dias (Author) Other; Giuseppe Storti (Author) Other

Journal

Title: Macromolecular Reaction Engineering

Vol. 8 No. 10

ISSN: 1862-832X

Publisher: Wiley-Blackwell

Indexing

ISI Web of Science

Scopus

INSPEC

Scientific classification

FOS: Engineering and technology > Chemical engineering

CORDIS: Technological sciences > Engineering > Chemical engineering

Associated Projects

NANOPOLY - Hybrid Models for Tailoring Nano-Architectures of polymers

LA 20 - PROJECTO ESTRATÉGICO - LA 20 - 2013-2014

Other information

DOI: 10.1002/mren.201400005

Abstract (EN): 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.

Language: English

Type (Professor's evaluation): Scientific

No. of pages: 18