Content area

Abstract

This work addresses knowledge gaps by integrating realistic airway structures, relevant physiological processes, and accurate representations of particle size distributions and the thermodynamics of evaporation and condensation. The aim is to enhance the predictive capabilities of computational fluid-particle dynamics (CFPD) models to provide a more realistic simulation of aerosol behavior within the respiratory system. This approach will demonstrate applicability through key applications such as e-cigarette vapor analysis, cannabis aerosol behavior, and soft mist inhalers (SMI), offering a more robust framework for understanding and predicting aerosol behavior in human respiratory systems, and facilitating more effective health and safety interventions.This work uses the volume of fluid to discrete phase (VOF-to-DPM) model to simulate the atomization process in the selected SMI configuration for predicting the effects of operating parameters on inhaler atomization. The comparisons across velocity, surface tension, and viscosity, along with their associated dimensionless numbers (We, Re, and Oh), demonstrate how these parameters govern aerosol atomization. In the velocity comparison, increasing We and Re with higher velocities reduces MMAD monotonically due to stronger inertial forces overcoming surface tension and viscous effects, while lower velocities yield larger droplets.

Airway simulation results reveal complex airflow dynamics and droplet transport behavior influenced by the inhaler geometry. Recirculation zones within the inhaler mouthpiece significantly impact initial velocity profiles and trajectories of aerosolized droplets, reducing their velocity before entering the throat. As airflow progresses through the tracheobronchial tree during inhalation, the flow transitions from high-velocity, recirculating patterns to smoother, laminar profiles, particularly in the peripheral airways. This design helps minimize early deposition and enhance deeper lung delivery. Although the total deposition fraction is lower than previously reported values, the emphasis on peripheral deposition remains consistent, with slight differences in particle size distribution and inhalation velocity likely accounting for the variations.

By advancing CFPD models and integrating realistic conditions, this study provides insight into aerosol dynamics within the respiratory system to support the development of more effective inhaler designs for better respiratory health outcomes.

Details

1010268
Title
Multiscale Computational Fluid Particle Dynamics Models for Predicting the Generation, Evolution, Transport, and Deposition of Respirable Aerosols in Inhaler Devices and the Human Respiratory System
Number of pages
184
Publication year
2025
Degree date
2025
School code
0664
Source
DAI-B 87/2(E), Dissertation Abstracts International
ISBN
9798291547472
Advisor
Committee member
Shah, Jindal; Kara, Kursat; Jiang, Zheyu
University/institution
Oklahoma State University
Department
Chemical Engineering
University location
United States -- Oklahoma
Degree
Ph.D.
Source type
Dissertation or Thesis
Language
English
Document type
Dissertation/Thesis
Dissertation/thesis number
31839035
ProQuest document ID
3241809713
Document URL
https://www.proquest.com/dissertations-theses/multiscale-computational-fluid-particle-dynamics/docview/3241809713/se-2?accountid=208611
Copyright
Database copyright ProQuest LLC; ProQuest does not claim copyright in the individual underlying works.
Database
2 databases
  • ProQuest One Academic
  • ProQuest One Academic