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Deterministic Modeling of Copolymer Microstructure: Composition Drift and Sequence Patterns
Author(s) -
Kryven Ivan,
Iedema Piet D.
Publication year - 2015
Publication title -
macromolecular reaction engineering
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.37
H-Index - 32
eISSN - 1862-8338
pISSN - 1862-832X
DOI - 10.1002/mren.201400047
Subject(s) - copolymer , bimodality , acrylonitrile , sequence (biology) , chain (unit) , triad (sociology) , monomer , materials science , polymer chemistry , population , microstructure , statistical physics , polymer , chemistry , physics , composite material , psychology , biochemistry , demography , quantum mechanics , astronomy , galaxy , sociology , psychoanalysis
A concept of a population balance is applied to study evolving structures of propagating linear copolymer chains. As a result, a general numerical toolbox was developed capable to handle various copolymerization mechanisms utilizing two‐dimensional distributions as means of system description. The method was applied to free radical copolymerization of styrene–acrylonitrile explaining peculiar bimodality in chain length distribution observed for asymmetrical initial monomer ratios.