Optimal Operating Policies for Synthesizing Tailor Made Gradient Copolymers

FORTUNATTI, CECILIA; MATO, BRUNO; BRANDOLIN, ADRIANA; SARMORIA, CLAUDIA; ASTEASUAIN, MARIANO

Copenhagen

Congreso; 12th Process Systems Engineering and 25th European Symposium on Computer Aided Process Engineering ? ESCAPE 25; 2015

Comité Organizador

In this work, a detailed mathematicalmodel of the TEMPO mediated copolymerization of S and MMA is used to analyzethe most common experimental strategies employed to produce gradient copolymersas applied to these monomers. The model is able to predict average molecularproperties as well as the full bivariate molecular weight distribution (MWD) ofthe copolymer. Typical experimental policies reported in the literature aresimulated in order to determine the exact composition profile that results fromthem. Optimal operating policies necessary to produce different specificgradient structures are also obtained by solving optimization problems. Theresults show that comprehensive mathematical modeling can aid in findingappropriate operating policies. In this way, the simulation can be regarded asa valuable tool in the design of novel materials with pre-specifiedcharacteristics.