Award for Dr. Kristina Zentel
2023/03/30
Kristina Zentel received the “Top Downloaded Article” award for her paper “Predicting Polymer Properties via a Coupled Kinetic, Stochastic and Rheological Modeling Approach from Reaction Conditions” from Wiley. This makes the paper one of the most downloaded articles within the first year of publication between 1st January 2021 and 31st December 2021.
The paper was published in September 2021 together with Prof. Markus Busch in the journal “Macromolecular Reaction Engineering”. In the paper a three-step multiscale modeling approach is presented, which can describe the high-pressure polymerization of LDPE (low-density polyethylene) and can be used in the prediction of its product properties. In the first step, a deterministic model, based on the polymerization kinetics, is used to obtain information on conversion and average polymer properties. Following, a hybrid stochastic Monte Carlo model is used to describe the microstructure of the polymer in detail. These results can then be used in a rheological model to predict polymer melt flow properties. The modeling approach was validated using miniplant LDPE samples and successfully transferred to a tubular reactor of industrial scale. It was possible to show that, in combination with a specific selection of process conditions, such as temperature and pressure, macroscopic product properties can be predicted and thus be controlled.
