Discrete Element Modelling for Dosing Operation - Material Calibration and Validation

  • Forgber, Thomas (Research Center Pharmaceutical Engineering, G)
  • Orefice, Luca (Research Center Pharmaceutical Engineering, G)
  • Remmelgas, Johan (Research Center Pharmaceutical Engineering, G)
  • Dobrowolski, Adrian (Bayer AG)
  • Sivanesapillai, Rakulan (Bayer AG)
  • Khinast, Johannes (Institute for Process and Particle Technology)

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High-fidelity simulation techniques based on physical principles have proven extremely valuable in speeding up pharmaceutical development and increasing the availability of high-quality medicines. The Discrete Element Method (DEM) is one such technique that has found widespread use. Here, several particle-level contact parameters must be correctly specified or calibrated for the simulated powder to mimic the bulk powder's flow behavior (Coetzee, 2017). But even if multiple characterization tests are conducted, certain parameters might still be undefined, or a manifold of parameter combinations is possible. The current contribution extends a novel workflow for DEM calibration (Forgber et al., 2022), allowing us to identify sets of DEM parameters while matching the powder bulk behavior in standard characterization tests. We demonstrate the applicability of the workflow using a model cohesive powder for which groups of possible contact parameters are identified. A representative selection of these groups is used to predict the mass flow in a dosing device (Three-Tec ZD 5 FB). The results are validated for various screw types and speeds. The workflow and significant findings which will be addressed in the presentation are summarized in Figure 1. REFERENCES Coetzee, C.J., 2017. Review: Calibration of the discrete element method. Powder Technol. 310, 104–142. Forgber, T., Khinast, J.G., Fink, E., 2022. A Hybrid Workflow for Investigating Wide DEM Parameter Spaces. Powder Technology, 404, 2022.