Case Studies with Mathematical Modeling of Free-radical Multi-component Bulk/Solution Polymerizations:Part 2
Abstract
In Part 2 of this series of two extensive overviews of multi-component polymerization case studies, we
again present mathematical modeling results with experimental confirmations. Part 2 represents a
refinement and expansion of the detailed and extensive mathematical model presented in Part 1 for freeradical,
bulk and/or solution multi-component polymerizations. The expansion is mainly with respect to
depropagation, thus making the model more fluent at elevated polymerization temperatures and, in
parallel, with additional features as backbiting (with systems involving butyl acrylate). The model
considers up to six monomers (unique in the literature), for either batch or semi-batch reactor modes. As
the simulator database contains several monomers, initiators, solvents, chain transfer agents and
inhibitors, all tested over a wide range of polymerization conditions, from data in both academic and
industrial laboratories, several hundred combinations of ingredients can be modeled. The many outputs
generated by the model include conversion, molecular weight, polymer composition, branching
indicators, sequence length, as well as many other polymerization characteristics related to both
production rate and polymer quality. Although the only literature data found to date contain a maximum
of four monomers, model predictions for homo-, co-, ter- and tetra-polymerizations show reasonable
agreement against the data at both regular and elevated temperatures. With these expansions, this model
is directed towards becoming a complete free-radical polymerization tool for training and educational
uses both in industry and academia.
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Cite this version of the work
David Dorschner, Woosung Jung, Marzieh Riahinezhad, Thomas Duever, Alexander Penlidis
(2017).
Case Studies with Mathematical Modeling of Free-radical Multi-component Bulk/Solution Polymerizations:Part 2. UWSpace.
http://hdl.handle.net/10012/12040
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