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CFD modelling and simulations of atomization-based processes for production of drug particles: A review

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posted on 2025-01-27, 08:52 authored by Mohamad BaassiriMohamad Baassiri, Vivek RanadeVivek Ranade, Luis PadrelaLuis Padrela

Atomization-based techniques are widely used in pharmaceutical industry for production of fine drug particles due to their versatility and adaptability. Key performance measure of such techniques is their ability to provide control over critical quality attributes (CQAs) of produced drug particles. CQAs of drug particles produced via atomization critically depend on fluid dynamics of sprays; resulting mixing, heat and mass transfer; distribution of supersaturation and subsequent nucleation and growth of particles. It is essential to develop and use computational fluid dynamics (CFD) models for adequate understanding of multi-scale transport processes ranging from molecular scale mixing and particle scale processes, and from atomizer nozzle to overall spray chamber scale establishing relationships between CQAs and design and operating parameters of spray nozzle and chamber. In this work, we critically review past and current research efforts on CFD modelling of pharmaceutical atomization-based processes with an objective to provide clear assessment of the state of the art and to provide recommendations. An overview of the key atomization-based methods for producing drug particles with desired CQAs is presented. Key underlying physical processes and relevant concepts are then outlined. This discussion is related to the demands on CFD models; and state of the art is then discussed with respect to the process needs. Recommendations are provided towards higher fidelity and more efficient models of atomized multiphase flow dynamics and turbulence, drying modelling for the produced particles, and validation approaches. We conclude by highlighting a perceived need for numerical atomization studies with a pharmaceutical context; then, we deliver an outlook on current promising active control and machine learning strategies to augment the shift towards quality-by-design approaches in pharmaceutical manufacturing

Funding

SSPC_Phase 2

Science Foundation Ireland

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Next Generation Nanopharma Process Development Platform (NaPRO)

Science Foundation Ireland

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Controlled Nucleation for the Continuous Crystallization of Nanopharmaceuticals

Science Foundation Ireland

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History

Publication

International Journal of Pharmaceutics 670, 125204

Publisher

Elsevier

Also affiliated with

  • Bernal Institute

Department or School

  • Chemical Sciences

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