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The effect of intramolecular crosslinking (IC) (cyclization) on gelation was studied using Monte Carlo simulations. The consumption of crosslinker in the IC process is proposed as one of the main reasons of significant overestimation of the gel point by Flory-Stockmayer theory. The system under study is atom transfer radical polymerization (ATRP) of a monomer and bifunctional (e.g. divinyl) crosslinker...
The effect of dilution on random living copolymerization of vinyl- and divinyl monomers with fast initiation and slow propagation was simulated and compared with the experiments. Two Monte Carlo simulation methods have been used: one, purely statistical, based on the Flory–Stockmayer (FS) theory and the second using the dynamic lattice liquid model (DLL). The results were compared with experiments...
The random living copolymerization of vinyl and divinyl monomers with fast initiation and slow propagation was simulated using two Monte Carlo methods: one, purely statistical, corresponding to the mean-field Flory–Stockmayer (FS) theory and the dynamic lattice liquid model (DLL). The results were compared with experiments in which atom transfer radical polymerization (ATRP) method was used. Molecular...
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