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Aerosol Dosimetry Modeling Using Computational Fluid Dynamics

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Computational Systems Toxicology

Part of the book series: Methods in Pharmacology and Toxicology ((MIPT))

Abstract

In this chapter, the current state of the art in modeling and prediction of aerosol deposition in respiratory systems using computational fluid dynamics (CFD) is presented and reviewed. First, the physical and chemical processes governing aerosol transport, evolution, and deposition are described followed by their coupling via fundamental conservation laws. The different ways to numerically model aerosol dynamics are then described and a brief overview of the different methods that can be used to obtain a realistic geometry, computational mesh, and simulation conditions of the respiratory system is given. A short review of available numerical algorithms to solve the systems of strongly coupled partial differential equations is also presented followed by a brief discussion of the importance of proper model verification and validation. To complete the path between the inhaled aerosol and the toxicological effects, attempts to couple deterministic CFD-based aerosol deposition modeling with biological effects via physiologically based pharmacokinetic (PBPK) models are described. Finally, conclusions and the current general trends in the application of CFD to toxicological science are given.

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Acknowledgments

This work is dedicated to the memory of our late colleague Dr. Matthias Schorp, who initiated and inspired the writing of this book chapter. The authors would also like to thank Dr. Jeffry D. Schroeter for critical review and insightful comments on the book chapter.

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  1. Philip Morris International R&D, Philip Morris Products S.A., Quai Jeanrenaud 5, Neuchâtel, 2000, Switzerland

    Markus Nordlund & Arkadiusz K. Kuczaj

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  1. Markus Nordlund
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  2. Arkadiusz K. Kuczaj
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Correspondence to Markus Nordlund .

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  1. Philip Morris International R&D, Neuchâtel, Switzerland

    Julia Hoeng

  2. Philip Morris International R&D, Neuchâtel, Switzerland

    Manuel C. Peitsch

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Nordlund, M., Kuczaj, A.K. (2015). Aerosol Dosimetry Modeling Using Computational Fluid Dynamics. In: Hoeng, J., Peitsch, M. (eds) Computational Systems Toxicology. Methods in Pharmacology and Toxicology. Humana Press, New York, NY. https://doi.org/10.1007/978-1-4939-2778-4_16

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  • DOI: https://doi.org/10.1007/978-1-4939-2778-4_16

  • Publisher Name: Humana Press, New York, NY

  • Print ISBN: 978-1-4939-2777-7

  • Online ISBN: 978-1-4939-2778-4

  • eBook Packages: Springer Protocols

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