Scale-up Modeling of a Pharmaceutical Crystallization Process via Compartmentalization Approach

Merve Öner, Christian Bach, Tannaz Tajsoleiman, Getachew S. Molla, Michael F. Freitag, Stuart M. Stocks, Jens Abildskov, Ulrich Krühne, Gürkan Sin*

*Corresponding author for this work

Research output: Chapter in Book/Report/Conference proceedingArticle in proceedingsResearchpeer-review

Abstract

In this work, a scale-up model of a pharmaceutical batch cooling crystallization process was developed. The model is based on a compartmentalization approach of a large-scale crystallizer. The compartmental properties (e.g. volume, location and flux connections) were extracted by using two different, manual and automatic zoning, strategies. Each compartmentalization technique is based on a mixing study in the large-scale reactor with the help of computational fluid dynamics (CFD). The scale-up model was simulated in MATLAB/Simulink environment. The simulation results show the significant role of the fluid dynamics on the simulated process performance in terms of crystal size distribution and final average crystal diameter by means of comparing the multi-compartment model with a single-compartment well-mixed model.

Original languageEnglish
Title of host publicationProceedings of the 13th International Symposium on Process Systems Engineering – PSE 2018
EditorsMario R. Eden, Marianthi G. Ierapetritou, Gavin P. Towler
Volume44
PublisherElsevier
Publication date2018
Pages181-186
ISBN (Electronic)978-0-444-64241-7
DOIs
Publication statusPublished - 2018
Event13th International Symposium on Process Systems Engineering (PSE 2018) - San DIego, United States
Duration: 1 Jul 20185 Jul 2018

Conference

Conference13th International Symposium on Process Systems Engineering (PSE 2018)
CountryUnited States
CitySan DIego
Period01/07/201805/07/2018
SeriesComputer Aided Chemical Engineering
ISSN1570-7946

Keywords

  • Scale-up modeling
  • Pharmaceutical crystallization
  • Compartmental modelling
  • Computational fluid dynamics

Cite this

Öner, M., Bach, C., Tajsoleiman, T., S. Molla, G., Freitag, M. F., Stocks, S. M., ... Sin, G. (2018). Scale-up Modeling of a Pharmaceutical Crystallization Process via Compartmentalization Approach. In M. R. Eden, M. G. Ierapetritou, & G. P. Towler (Eds.), Proceedings of the 13th International Symposium on Process Systems Engineering – PSE 2018 (Vol. 44, pp. 181-186). Elsevier. Computer Aided Chemical Engineering https://doi.org/10.1016/B978-0-444-64241-7.50025-2