A Theoretical Exploration of the Potential of ICAR ATRP for One- and Two-Pot Synthesis of Well-Defined Diblock Copolymers

作者：Porras Carolina Toloza; D' hooge Dagmar R; Van Steenberge Paul H M; Reyniers Marie Francoise^*; Marin Guy B

来源：Macromolecular Reaction Engineering, 2013, 7(7): 311-326.

DOI：10.1002/mren.201200085

• atom transfer radical polymerization (ATRP)
• block copolymers
• diffusion
• kinetic Monte Carlo
• kinetics (polym
• )

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.

• 出版日期2013-7