(103f) Development of Discrete Element Method Calibration Approach for Pharmaceutical Applications
AIChE Annual Meeting
Wednesday, November 10, 2021 - 2:30pm to 2:54pm
In the proposed work, the authors aim to address the problem of DEM calibration for pharmaceutical manufacturing using a unique strategy utilizing a combination of multiple bulk measurement tests. The combination of bulk measurement tests includes shear cell test, FT4 flow energy test and an instrumented rotating drum to account for static and consolidated state, dynamic flow regime and non-consolidated state of powder flow respectively. These tests aim to span the majority regime of observed powder flow behavior and processing conditions in different applications for pharmaceutical manufacturing. Following the demonstration of material calibration, the proposed work aims at extending the idea to develop a novel concept of DEM calibration database. The DEM calibration database, equivalent to the material characterization library, includes the calibrated DEM parameters of commonly used pharmaceutical powders, selected from different clusters of the material library. Multivariate analysis techniques like principal component analysis and clustering analysis are implemented to explore the knowledge space of the database. Lastly, the DEM calibration database is validated for new pharmaceutical powders based on predictive models constructed using surrogate modeling. The novelty of the proposed work is that the developed DEM calibration space can then be used as a lookup guide for quick access to calibrated DEM parameters of known pharmaceutical powders.
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