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Modeling Atom‐Transfer Radical Polymerization of Butyl Acrylate
Author(s) -
Schroeder Hendrik,
Buback Johannes,
Schrooten Jens,
Buback Michael,
Matyjaszewski Krzysztof
Publication year - 2014
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/mats.201300153
Subject(s) - polymerization , living free radical polymerization , polymer chemistry , catalytic chain transfer , chain transfer , radical polymerization , atom transfer radical polymerization , reversible addition−fragmentation chain transfer polymerization , acrylate , chemistry , kinetic chain length , living polymerization , ionic polymerization , butyl acrylate , materials science , bulk polymerization , methyl methacrylate , monomer , polymer , organic chemistry
The kinetics of butyl acrylate (BA) atom‐transfer radical polymerization (ATRP) up to 2 000 bar has been modeled via PREDICI . A novel software package has been used in conjunction with PREDICI to perform automatic simulation and data processing within an extended range of polymerization conditions. The polymerization rate is enhanced with pressure, although to a weaker extent than in the ATRP of styrene and methyl methacrylate. Modeling suggests that intramolecular chain‐transfer in BA polymerization is significantly accelerated at high pressure.