Morphological modeling and simulation of crystallization processes

Shape is an important property that influences physical characteristics and downstream processing of both crystalline and non-crystalline particles. However, it has so far mostly been considered in a simplified manner, due to limitations in experimental characterization and to particular modelling challenges. The objective of this project is to develop a framework that fully describes the shape of convex, faceted and rounded particles and their non-convex aggregates. The shape characterization will be useful for experimental characterization and will also serve as a basis for detailed modeling.The framework is based on mathematical concepts from the field of convex geometry (e.g. Minkowski-addition).The main focus of the project regarding application is on crystallization processes, whereas the framework provides the flexibility to consistently handle particle shape over different unit operations. Detailed experimental characterization and identification of full 3-dimensional shape will be provided by means of micro-computed-tomography measurements and corresponding 3-dimensional image processing. Also, modelling and simulation tools for crystallization processes will be developed on the basis of a detailed shape representation which explores the potential of increasing the predictiveness by properly considering particle shape. Eventually, the shape representation will be integrated in the solids processing simulation framework being developed in the DFG priority program SPP 1679.