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Monte Carlo simulation on rate enhancement of nitroxide‐mediated living free‐radical polymerization
Author(s) -
He Junpo,
Li Li,
Yang Yuliang
Publication year - 2000
Publication title -
macromolecular theory and simulations
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.37
H-Index - 56
eISSN - 1521-3919
pISSN - 1022-1344
DOI - 10.1002/1521-3919(20001101)9:8<463::aid-mats463>3.0.co;2-6
Subject(s) - nitroxide mediated radical polymerization , radical polymerization , monte carlo method , polymerization , molar mass distribution , polymer , kinetics , chemistry , kinetic chain length , polymer chemistry , materials science , photochemistry , organic chemistry , physics , mathematics , statistics , quantum mechanics
Four rate enhancing cases of nitroxide‐mediated living free‐radical polymerizations are simulated by the Monte Carlo method to investigate the effects of parameters on kinetics and molecular weight distribution of the resulting polymers. In all cases the equilibrium between growing and dormant chains shifts in favor of the growing chains under corresponding reaction conditions. The polymerization rates are therefore increased substantially without much loss in control of molecular weight and distribution of the products. The optimization of rate‐enhancement in living free‐radical polymerization is also discussed.