Kinetic Modeling of Cross-Linked Polymers Synthesized by Controlled Radical Polymerization Techniques

• Type: Article in International Scientific Journal
• Date: 2010

Authors

Miguel A. D. Gonçalves (Author) FEUP; Ivone M. R. Trigo (Author) FEUP; Rolando C. S. Dias (Author) FEUP; Mário Rui P. F. N. Costa (Author) Other

Journal

Title: Macromolecular Symposia

Pages: 239-250

ISSN: 1022-1360

Publisher: Wiley-Blackwell

Indexing

Scopus

Scientific classification

FOS: Engineering and technology > Chemical engineering

Other information

DOI: 10.1002/masy.201050528

Abstract (EN): A 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.

Language: English

Type (Professor's evaluation): Scientific