Prediction of sol fraction and average molecular weights after gelation for non-linear free radical polymerizations using a kinetic approach

• Type: Article in International Scientific Journal
• Date: 2003

Authors

Mário Rui P. F. N. Costa (Author) FEUP; Rolando C. S. Dias (Author) Other

Journal

Title: Macromolecular Theory and Simulations

Vol. 12 No. 8

Pages: 560-572

ISSN: 1022-1344

Publisher: Wiley-Blackwell

Indexing

ISI Web of Knowledge - 20 Citations

ISI Web of Science

Scopus - 17 Citations

COMPENDEX

Scientific classification

FOS: Natural sciences > Chemical sciences

Other information

Authenticus ID: P-000-F49

DOI: 10.1002/mats.200350011

Abstract (EN): Mass balance equations in terms of the moment generating function of the distribution of mole concentrations of polymer species for free radical copolymerizations of mono/divinyl monomers could be numerically solved after gel point using open source code ACDC, needed for extremely stiff two-point boundary value problems. For the first time, it became possible to compare the error of earlier well-known approximated estimation methods for the weight fraction of sol and average molecular weights to this accurate mathematical solution, It turns out that predictions by the pseudo-kinetic method are reasonable only when equal reactivity of double bonds prevails, causing early gelation in the batch reactor. Otherwise the discrepancies between the exact and approximate solutions are quite important.

Language: English

Type (Professor's evaluation): Scientific

No. of pages: 13