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A Theoretical Exploration of the Potential of ICAR ATRP for One‐ and Two‐Pot Synthesis of Well‐Defined Diblock Copolymers
Author(s) -
Toloza Porras Carolina,
D'hooge Dagmar R.,
Van Steenberge Paul H. M.,
Reyniers MarieFrançoise,
Marin Guy B.
Publication year - 2013
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.201200085
Subject(s) - copolymer , acrylate , monomer , polymerization , polymer chemistry , one pot synthesis , materials science , styrene , block (permutation group theory) , polymer , chemistry , chemical engineering , organic chemistry , mathematics , catalysis , composite material , geometry , engineering
Kinetic Monte Carlo simulations are performed to investigate the capability of ICAR ATRP for the synthesis of well‐defined poly(isobornyl acrylate‐ b ‐styrene) block(‐like) copolymers using one‐pot semi‐batch and two‐pot batch procedures. The block copolymer quality is quantified via a block deviation (〈BD〉) value. For 〈BD〉 values lower than 0.30, the quality is defined as good and for well‐chosen polymerization conditions the formation of homopolymer chains upon addition of the second monomer can be suppressed. A better block quality is obtained when isobornyl acrylate is polymerized first. For lower Cu levels a one‐pot semi‐batch procedure allows a much faster ATRP and better control over the polymer properties than a two‐pot batch procedure.