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Computational and experimental investigation of needle-shaped crystal breakage
Z. Grof, CM. Schoellhammer, P. Rajniak, F. Stĕpánek
Language English Country Netherlands
Document type Journal Article, Research Support, Non-U.S. Gov't
- MeSH
- Models, Chemical MeSH
- Filtration MeSH
- Hydrodynamics MeSH
- Crystallization MeSH
- Pharmaceutical Preparations chemistry MeSH
- Computer Simulation MeSH
- Particle Size MeSH
- Publication type
- Journal Article MeSH
- Research Support, Non-U.S. Gov't MeSH
Needle-shaped crystals are a common occurrence in many pharmaceutical and fine chemicals processes. Even if the particle size distribution (PSD) obtained in a crystallization step can be controlled by the crystal growth kinetics and hydrodynamic conditions, further fluid-solid separation steps such as filtration, filter washing, drying, and subsequent solids handling can often lead to uncontrolled changes in the PSD due to breakage. In this contribution we present a combined computational and experimental methodology for determining the breakage kernel and the daughter distribution functions of needle-shaped crystals, and for population balance modeling of their breakage. A discrete element model (DEM) of needle-shaped particle breakage was first used in order to find out the appropriate types of the breakage kernel and the daughter distribution functions. A population balance model of breakage was then formulated and used in conjunction with experimental data in order to determine the material-specific parameters appearing in the breakage functions. Quantitative agreement between simulation and experiment has been obtained.
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