Digital design of particle size and shape during crystallization processes


Model-based scale-up and optimisation is a powerful technique for achieving the desired product quality and reducing the cost of experimentation and the time to market. For complex crystallization processes, population balance modelling is capable of predicting the effect of the batch recipe on the particle size and shape distribution. However, this technique is mathematically complex and has traditionally required deep knowledge of specialist areas. New tools allow engineers to apply population balance modelling without highly-specialised numerical skills.

This webinar will present a case study illustrating the application of a mechanistic morphological crystallizer to allow for the prediction of particle size and shape during a crystallization process. Topics will include:

  • Comparison between the traditional (non-morphological) and morphological crystallizers
  • Limitations of traditional 1D approach in terms of particle shape effects
  • Overview and application of the morphological crystallizer to a literature case study
  • Workflows for using lab-scale data to estimate kinetic parameters for crystal growth for the particle size axes
  • Uncertainty analysis on the impact of the kinetic parameter uncertainty on the model predictions of the Critical Quality Attributes (CQAs) including particle shape
  • Sensitivity analysis to identify the Critical Process Parameters (CPPs) to control and/or optimise in the process to achieve desired particle aspect ratio


Niall Mitchell Dr Niall Mitchell is a Principal Consultant and Practice Area Director of gPROMS FormulatedProducts. He is a Chemical Engineer with a PhD on the modelling and experimental aspects of crystallization from the University of Limerick and has several years of industrial experience in crystallization and solid processing.
Niall Mitchell Joao Moreira is the Technical Architect of gPROMS FormulatedProducts. He has an MEng in Chemical Engineering from IST-University of Lisbon, and strong modelling experience in many areas of the Formulated Products sector, especially in crystallizing systems for Active Ingredient Manufacture. He is also the Lead Consultant for lyophilization/freeze-drying applications within PSE.

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