posted on 2021-07-16, 17:35authored byFelix Kandelhard, Prokopios Georgopanos
In this study, the
potential of a combined reaction kinetics model
and a heat transfer model for the process development and scale-up
of polystyrene synthesis via anionic polymerization, which is later
extended to copolymerization with isoprene, is presented. In an innovative
way, the program Predici was utilized to describe the requirements
needed in the modeling of polymerization in a larger scale. This model
combines the precise description of the polymerization reaction kinetics
and the prediction of macromolecular properties offered by the program
Predici with a heat transfer model to predict safety-relevant parameters
such as the temperature and pressure profiles of the reaction system.
In this way, it enables the precise investigation of interactions
between process parameters and product properties as well as opens
the path to optimal process control. Furthermore, changes associated
with the scale-up of the process were studied using the model. The
developed model was successfully applied to all of these tasks and
could be used for fast screening in the development of polymer synthesis.