TY - JOUR
T1 - CFD modelling and simulations of atomization-based processes for production of drug particles
T2 - A review
AU - Baassiri, Mohamad
AU - Ranade, Vivek
AU - Padrela, Luis
N1 - Publisher Copyright:
© 2025 The Authors
PY - 2025/2/10
Y1 - 2025/2/10
N2 - 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.
AB - 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.
KW - Atomization
KW - CFD
KW - Computational modelling
KW - Drug nanoparticles
UR - http://www.scopus.com/inward/record.url?scp=85215113703&partnerID=8YFLogxK
U2 - 10.1016/j.ijpharm.2025.125204
DO - 10.1016/j.ijpharm.2025.125204
M3 - Review article
AN - SCOPUS:85215113703
SN - 0378-5173
VL - 670
JO - International Journal of Pharmaceutics
JF - International Journal of Pharmaceutics
M1 - 125204
ER -