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Simulation of RAFT Dispersion Polymerization in Supercritical Carbon Dioxide
Author(s) -
JaramilloSoto Gabriel,
CastellanosCárdenas M. Luz,
GarcíaMorán Pedro R.,
VivaldoLima Eduardo,
LunaBárcenas Gabriel,
Penlidis Alexander
Publication year - 2008
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.200800006
Subject(s) - supercritical carbon dioxide , polymerization , raft , dispersion polymerization , supercritical fluid , chain transfer , reversible addition−fragmentation chain transfer polymerization , radical polymerization , monomer , methyl methacrylate , carbon dioxide , chemistry , polymer chemistry , materials science , chemical engineering , organic chemistry , polymer , engineering
The RAFT radical polymerization of vinyl monomers in supercritical carbon dioxide was modeled using the Predici® simulation package. The sensitivity of polymerization responses on formulation and process variables was analyzed. The simulations were carried out using kinetic and physical parameters corresponding to the polymerization of methyl methacrylate in supercritical carbon dioxide, using AIBN as initiator, at 65 °C and 200 bar, and using values of the addition and fragmentation kinetic rate constants of a “typical” RAFT agent, as reference conditions. This is the first report in the literature addressing the modeling or simulation of RAFT polymerization in supercritical carbon dioxide.