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R. Szymański

Simulation of molecular weight distributions as a tool for studying polymerization processes

Polimery 1998, No 9, 513

DOI: dx.doi.org/10.14314/polimery.1998.513


Molecular weight distribution (MWD) simulations are show to be useful in studying the mechanism and kinetics of polymerization processes. Monte Carlo simulations of MWD in (i) ionic polymerizations involvingreversible deactivation of active centers of propagation and (ii) ionic polymerization with transfer onto the polymer, resulting in chain rupture and interchain exchange of polymer segments showed bimodal MWD to occur in the systems characterized by identical propagation rate constants on free-ion and ion-pairs. In the exchange of segments, Monte Carlo simulations served to establish the ratio of the rate constants of propagation and segment al interchain exchange (Fig. 3). The Monte Carlo method is shown to help verify the approximate MWD simulation methods based on numerical integration of differential equations (Fig. 5).

Keywords: molecular weight distribution, Monte Carlo simulations, numerical integration of differential equations, ionic polymerization, transfer onto polymer with chain rupture

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