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1. Population balance model enabled digital design and uncertainty analysis framework for continuous crystallization of pharmaceuticals using an automated platform with full recycle and minimal material use

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   Peer-reviewed journal | 05 Sep 2024 | Contributor(s):: Wei-Lee Wu, Zoltan K. Nagy, Yash Barhate, Hemalatha Kilari

   A systematic digital design framework for the development of a digital twin of a continuous crystallization process was presented using the model compound, diphenhydramine hydrochloride (DPH). The key features of the framework include operating space investigations, kinetic parameter estimation...

2. PharmaPy: An object-oriented tool for the development of hybrid pharmaceutical flowsheets

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   Peer-reviewed journal | 09 Jun 2023 | Contributor(s):: Casas-Orozco, Daniel, Laky, Daniel Wang, Vivian Abdi, Mesfin, Feng, X., Wood, E., Laird, Carl, Reklaitis, Gintaras V., Nagy, Zoltan K.

   Process design and optimization continue to provide computational challenges as the chemical engineering and process optimization communities seek to address more complex and larger scale applications. Software tools for digital design and flowsheet simulation are readily available for...

3. Monitoring and digital design of the cooling crystallization of a high-aspect ratio anticancer drug using a two-dimensional population balance model

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   Peer-reviewed journal | 09 Jun 2023 | Contributor(s):: Szilágyi, Botond, Eren, Ayşe Quon, Justin L. Papageorgiou, Charles D., Nagy, Zoltán K.

   The development of a process model for the batch cooling crystallization of an anticancer drug from Takeda Pharmaceuticals is presented. The compound forms needle-like crystals that exhibit significant variation in shape (aspect ratio) during the crystallization. The parameters of a...