Deposition simulations of realistic dosages in patient-specific airways with two- and four-way coupling

Inhalers spray over 100 million drug particles into the mouth, where a significant portion of the drug may deposit. Understanding how the complex interplay between particle and solid phases influence deposition is crucial for optimising treatments. Existing modelling studies neglect any effect of particle momentum on the fluid (one-way coupling), which may cause poor prediction of forces acting on particles. In this study, we simulate a realistic number of particles (up to 160 million) in a patient-specific geometry. We study the effect of momentum transfer from particles to the fluid (two-way coupling) and particle-particle interactions (four-way coupling) on deposition. We also explore the effect of tracking groups of particles ('parcels') to lower computational cost. Upper airway deposition fraction increased from 0.33 (one-way coupled) to 0.87 with two-way coupling and 10µm particle diameter. Four-way coupling lowers upper airway deposition by approximately 10% at 100µg dosages. We use parcel modelling to study deposition of 4-20µm particles, observing significant influence of two-way coupling in each simulation. These results show that future studies should model realistic dosages for accurate prediction of deposition which may inform clinical decision-making.

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Publication Details

Journal
International Journal of Pharmaceutics
Published
2024-12-07
DOI
https://doi.org/10.1016/j.ijpharm.2024.125019
Citations
2
Primary Topic
Inhalation and Respiratory Drug Delivery
Type
article
Field-Weighted Citation Impact
0.84

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article

Deposition simulations of realistic dosages in patient-specific airways with two- and four-way coupling

Ali Özel, Josh Williams, Steve Cunningham, Uwe Wolfram et al.
2 citations
International Journal of Pharmaceutics
Inhalation and Respiratory Drug Delivery
0.84
article

Deposition simulations of realistic dosages in patient-specific airways with two- and four-way coupling

Ali Özel, Josh Williams, Steve Cunningham, Uwe Wolfram, José María de las Heras Montes
article en
2 citations

Abstract

Inhalers spray over 100 million drug particles into the mouth, where a significant portion of the drug may deposit. Understanding how the complex interplay between particle and solid phases influence deposition is crucial for optimising treatments. Existing modelling studies neglect any effect of particle momentum on the fluid (one-way coupling), which may cause poor prediction of forces acting on particles. In this study, we simulate a realistic number of particles (up to 160 million) in a patient-specific geometry. We study the effect of momentum transfer from particles to the fluid (two-way coupling) and particle-particle interactions (four-way coupling) on deposition. We also explore the effect of tracking groups of particles ('parcels') to lower computational cost. Upper airway deposition fraction increased from 0.33 (one-way coupled) to 0.87 with two-way coupling and 10µm particle diameter. Four-way coupling lowers upper airway deposition by approximately 10% at 100µg dosages. We use parcel modelling to study deposition of 4-20µm particles, observing significant influence of two-way coupling in each simulation. These results show that future studies should model realistic dosages for accurate prediction of deposition which may inform clinical decision-making.

International Journal of PharmaceuticsVol. 669
Daresbury Laboratory (GB), Heriot-Watt University (GB), Heriot-Watt University Malaysia (MY), Centre for Inflammation Research (GB), Clausthal University of Technology (DE), University of Edinburgh (GB)
Carnegie Trust for the Universities of Scotland
Zero hunger
Openalex Percentile: Top 22%
Inhalation and Respiratory Drug Delivery
0.84
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