Automated bidirectional coupling of multiscale models of aerosol dosimetry: Validation with subject-specific deposition data
[1];
[1];
- Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)
- Applied Research Associates, Raleigh, NC (United States)
- Battelle Memorial Institute, Columbus, OH (United States)
- Greek Creek Toxicokinetics Consulting, LLC, Boise, ID (United States)
- University of California, San Diego, CA (United States)
Assessing the toxicity of airborne particulate matter or the efficacy of inhaled drug depends upon accurate estimates of deposited fraction of inhaled materials. In silico approaches can provide important insights into site- or airway-specific deposition of inhaled aerosols in the respiratory system. In this study, we improved on our recently developed 3D/1D model that simulate aerosol transport and deposition in the whole lung over multiple breath cycles. A subject-specific multiscale lung model of a healthy male subject using computational fluid-particle dynamics (CFPD) in a 3D model of the oral cavity through the large bronchial airways entering each lobe was bidirectionally coupled with a recently improved Multiple Path Particle Dosimetry (MPPD) model to predict aerosol deposition over the entire respiratory tract over multiple breaths for four conditions matching experimental aerosol exposures in the same subject from which the model was developed. These include two particle sizes (1 and 2.9 μm) and two subject-specific breathing rates of ~300 ml/s (slow breathing) and ~750 ml/s (fast breathing) at a target tidal volume of 1 L. In silico predictions of retained fraction were 0.31 and 0.29 for 1 μm and 0.66 and 0.62 for 2.9 μm during slow and fast breathing, respectively, and compared well with experimental data (1 μm: 0.31 ± 0.01 (slow) and 0.27 ± 0.01 (fast), 2.9 μm: 0.63 ± 0.03 (slow) and 0.68 ± 0.02 (fast)). Furthermore, these results provide a great deal of confidence in the validity and reliability of our approach.
- Research Organization:
- Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)
- Sponsoring Organization:
- USDOE
- Grant/Contract Number:
- AC05-76RL01830
- OSTI ID:
- 2000678
- Report Number(s):
- PNNL-SA-184262
- Journal Information:
- Journal of Aerosol Science, Vol. 174; ISSN 0021-8502
- Publisher:
- ElsevierCopyright Statement
- Country of Publication:
- United States
- Language:
- English
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