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J. B. Lechowicz, H. Galina

Modeling of stepwise homopolymerization — how does the definition of a model affect the fraction of cycles?

Polimery 2000, No 7-8, 496


DOI: dx.doi.org/10.14314/polimery.2000.496


Summary

Cycle formation courses were compared in modelled stepwise homopolymerizations of a trifunctional monomer. Long-range percolation models and pseudoclassic models were applied. Cycle fraction variations in the conversion function were characterized in relation to the range parameter value (Fig. 2) and to the molecule flexibility constant (Fig. 3); the critical degree of reaction at the gelling stage was defined in relation to the number of potential reaction partners (coordination number) (Fig. 4). A particularly well visible difference between the models applied is pronounced in the conversion values calculated at the gelling point: it rises as the rate of cycle formation is raised. Reasons are given why, at the moment, the numerical models cannot provide full agreement of the observed with the calculated data.
Keywords: modeling of polymerization, long-range percolation models, pseudoclassic models, Monte-Carlo method, intramolecular reactions, cyclization
J. B. Lechowicz, H. Galina (763.2 KB)
Modeling of stepwise homopolymerization — how does the definition of a model affect the fraction of cycles?