Premium
Computer simulation of the chemical properties of copolymers
Author(s) -
Spurling T. H.,
Deady M.,
Krstina J.,
Moad G.
Publication year - 1991
Publication title -
makromolekulare chemie. macromolecular symposia
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.257
H-Index - 76
eISSN - 1521-3900
pISSN - 0258-0322
DOI - 10.1002/masy.19910510111
Subject(s) - copolymer , styrene , polymerization , methyl methacrylate , acrylate , monte carlo method , materials science , polymer chemistry , polymer , molar mass distribution , kinetics , methyl acrylate , methacrylate , thermodynamics , mathematics , physics , composite material , statistics , quantum mechanics
A new method for modelling polymerization kinetics is described in which numerical integration is used to provide the time scale for the polymerization experiment and Monte Carlo methods are employed to calculate the instantaneous molecular weight distribution, detailed chain composition, and chemical heterogeneity of the polymer as a function of time/conversion. The method has been applied in simulations of styrene‐methyl methacrylate copolymerization and styrene‐hydroxyethyl acrylate‐butyl acrylate terpolymerization.