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

doi:10.1016/B978-0-444-64241-7.50025-2

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

LEO Pharma AS

Research output: Chapter in Book/Report/Conference proceeding › Article in proceedings › Research › peer-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 language	English
Title of host publication	Proceedings of the 13th International Symposium on Process Systems Engineering – PSE 2018
Editors	Mario R. Eden, Marianthi G. Ierapetritou, Gavin P. Towler
Volume	44
Publisher	Elsevier
Publication date	2018
Pages	181-186
ISBN (Electronic)	978-0-444-64241-7
DOIs	https://doi.org/10.1016/B978-0-444-64241-7.50025-2
Publication status	Published - 2018
Event	13th International Symposium on Process Systems Engineering (PSE 2018) - San DIego, United States Duration: 1 Jul 2018 → 5 Jul 2018

Conference

Conference	13th International Symposium on Process Systems Engineering (PSE 2018)
Country/Territory	United States
City	San DIego
Period	01/07/2018 → 05/07/2018

Series	Computer Aided Chemical Engineering
ISSN	1570-7946

Keywords

Scale-up modeling
Pharmaceutical crystallization
Compartmental modelling
Computational fluid dynamics

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10.1016/B978-0-444-64241-7.50025-2

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Öner, M., Bach, C., Tajsoleiman, T., S. Molla, G., Freitag, M. F., Stocks, S. M., Abildskov, J., Krühne, U., & 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. https://doi.org/10.1016/B978-0-444-64241-7.50025-2

Öner, Merve ; Bach, Christian ; Tajsoleiman, Tannaz et al. / Scale-up Modeling of a Pharmaceutical Crystallization Process via Compartmentalization Approach. Proceedings of the 13th International Symposium on Process Systems Engineering – PSE 2018. editor / Mario R. Eden ; Marianthi G. Ierapetritou ; Gavin P. Towler. Vol. 44 Elsevier, 2018. pp. 181-186 (Computer Aided Chemical Engineering).

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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.",

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doi = "10.1016/B978-0-444-64241-7.50025-2",

language = "English",

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booktitle = "Proceedings of the 13th International Symposium on Process Systems Engineering – PSE 2018",

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note = "13th International Symposium on Process Systems Engineering (PSE 2018) ; Conference date: 01-07-2018 Through 05-07-2018",

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Öner, M, Bach, C, Tajsoleiman, T, S. Molla, G, Freitag, MF, Stocks, SM, Abildskov, J , Krühne, U & Sin, G 2018, Scale-up Modeling of a Pharmaceutical Crystallization Process via Compartmentalization Approach. in MR Eden, MG Ierapetritou & GP Towler (eds), Proceedings of the 13th International Symposium on Process Systems Engineering – PSE 2018. vol. 44, Elsevier, Computer Aided Chemical Engineering, pp. 181-186, 13th International Symposium on Process Systems Engineering (PSE 2018), San DIego, United States, 01/07/2018. https://doi.org/10.1016/B978-0-444-64241-7.50025-2

Scale-up Modeling of a Pharmaceutical Crystallization Process via Compartmentalization Approach. / Öner, Merve; Bach, Christian; Tajsoleiman, Tannaz et al.
Proceedings of the 13th International Symposium on Process Systems Engineering – PSE 2018. ed. / Mario R. Eden; Marianthi G. Ierapetritou; Gavin P. Towler. Vol. 44 Elsevier, 2018. p. 181-186 (Computer Aided Chemical Engineering).

Research output: Chapter in Book/Report/Conference proceeding › Article in proceedings › Research › peer-review

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AU - Bach, Christian

AU - Tajsoleiman, Tannaz

AU - S. Molla, Getachew

AU - Freitag, Michael F.

AU - Stocks, Stuart M.

AU - Abildskov, Jens

AU - Krühne, Ulrich

AU - Sin, Gürkan

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AB - 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.

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Öner M, Bach C, Tajsoleiman T, S. Molla G, Freitag MF, Stocks SM et al. Scale-up Modeling of a Pharmaceutical Crystallization Process via Compartmentalization Approach. In Eden MR, Ierapetritou MG, Towler GP, editors, Proceedings of the 13th International Symposium on Process Systems Engineering – PSE 2018. Vol. 44. Elsevier. 2018. p. 181-186. (Computer Aided Chemical Engineering). doi: 10.1016/B978-0-444-64241-7.50025-2

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

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