Award for Kristina Zentel
2022/06/24
Kristina Zentel received the “Top Downloaded Article” award for her paper “Using a Multiscale Modeling Approach to Correlate Reaction Conditions with Polymer Microstructure and Rheology” from Wiley. This makes the paper one of the most downloaded articles within the first year of publication between 1st January 2019 and 31st December 2020.
The paper was published in October 2020 together with Jonas Degenkolb and Prof. Markus Busch in the journal “Macromolecular Theory and Simulations”. It describes a modeling approach for LDPE (low-density polyethylene) reactors, which establishes a link between process conditions and polymer properties in three simulation steps. The modeling approach starts with a deterministic simulation based on polymer kinetics. Afterwards, a stochastic Monte Carlo simulation is carried out to describe the molecular weight distribution and to provide detailed information about the topologies of an ensemble of molecules. These in turn serve as input for the simulation of rheological properties.