title: Aerosol transport throughout inspiration and expiration in the pulmonary airways.
abstract: Little is known about transport throughout the respiration cycle in the conducting airways. It is challenging to appropriately describe the time-dependent number of particles entering back into the model during exhalation. Modeling the entire lung is not feasible; therefore, multidomain methods must be used. Here, we present a new framework that is designed to simulate particles throughout the respiration cycle, incorporating realistic airway geometry and respiration. This framework is applied for a healthy rat lung exposed to  ∼ 1μm diameter particles, chosen to facilitate parameterization and validation. The flow field is calculated in the conducting airways (3D domain) by solving the incompressible Navier-Stokes equations with experimentally derived boundary conditions. Particles are tracked throughout inspiration by solving a modified Maxey-Riley equation. Next, we pass the time-dependent particle concentrations exiting the 3D model to the 1D volume conservation and advection-diffusion models (1D domain). Once the 1D models are solved, we prescribe the time-dependent number of particles entering back into the 3D airways to again solve for 3D transport. The coupled simulations highlight that about twice as many particles deposit during inhalation compared to exhalation for the entire lung. In contrast to inhalation, where most particles deposit at the bifurcation zones, particles deposit relatively uniformly on the gravitationally dependent side of the 3D airways during exhalation. Strong agreement to previously collected regional experimental data is shown, as the 1D models account for lobe-dependent morphology. This framework may be applied to investigate dosimetry in other species and pathological lungs.
authors.affiliation: Department of Mechanical Engineering, University of California Berkeley, Berkeley, 94709, CA, USA.|Inria Paris, 2 Rue Simone Iff, 75012, Paris, France.|Sorbonne Universités, UPMC Univ. Paris 6, Laboratoire Jacques-Louis Lions, 75252, Paris, France.
authors.forename: Jessica M
authors.initials: JM
authors.lastname: Oakes
authors.affiliation: Department of Mechanical Engineering, University of California Berkeley, Berkeley, 94709, CA, USA.
authors.forename: Shawn C
authors.initials: SC
authors.lastname: Shadden
authors.affiliation: Inria Paris, 2 Rue Simone Iff, 75012, Paris, France.|Sorbonne Universités, UPMC Univ. Paris 6, Laboratoire Jacques-Louis Lions, 75252, Paris, France.
authors.forename: Céline
authors.initials: C
authors.lastname: Grandmont
authors.affiliation: Inria Paris, 2 Rue Simone Iff, 75012, Paris, France.|Sorbonne Universités, UPMC Univ. Paris 6, Laboratoire Jacques-Louis Lions, 75252, Paris, France.
authors.forename: Irene E
authors.identifier: 0000-0001-9754-4386
authors.initials: IE
authors.lastname: Vignon-Clementel
mesh_terms: D000336:Aerosols / Q000378:metabolism*; D000818:Animals; D008168:Lung / Q000378:metabolism*; D008954:Models, Biological; D010316:Particle Size; D051381:Rats; D012119:Respiration
chemical_list: D000336:Aerosols
keywords: computational fluid dynamics (CFD); inhalation and exhalation; particle deposition; respiratory tract; whole lung modeling