PharmaPy: An object-oriented tool for the development of hybrid pharmaceutical flowsheets. (October 2021)

• Record Type: Journal Article
• Authors: Casas-Orozco, Daniel; Laky, Daniel; Wang, Vivian; Abdi, Mesfin; Feng, X.; Wood, E.; Laird, Carl; Reklaitis, Gintaras V.; Nagy, Zoltan K.
• Is Part Of: Computers & chemical engineering. Volume 153(2021)
• Publication Date: 2021-10
• Subjects: Digital design -- Flowsheet simulation -- Pharmaceutical process simulator -- Hybrid processes -- Parameter estimation -- Optimization -- Python; Chemical engineering -- Data processing -- Periodicals; 660.0285
• DOI: 10.1016/j.compchemeng.2021.107408
• Languages: English
• ISSNs: 0098-1354

Abstract

Highlights: An open-source tool for the digital design of pharmaceutical processes was developed. Robust model formulation and numerical tools allow fast simulation/process analysis. PharmaPy allows to build end-to-end batch/continuous or hybrid dynamic process models. Python scripting capabilities permit using PharmaPy with other existing libraries. Object-oriented architecture allows easy construction of new process models. Abstract: 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 traditional chemical processing applications such as in commodity chemicals and hydrocarbon processing; however, tools for pharmaceutical manufacturing are much less well developed. This paper introduces, PharmaPy, a Python-based modelling platform for pharmaceutical manufacturing systems design and optimization. The versatility of the platform is demonstrated in simulation and optimization of both continuous and batch processes. The structure and features of a Python-based modeling platform, PharmaPy are presented. Illustrative examples are shown to highlight key features of the platform and framework.