A critical analysis of the CFD-DEM simulation of pharmaceutical aerosols deposition in upper intra-thoracic airways: Considerations on air flow.

A well-corroborated numerical methodology ensuring reproducibility in the modeling of pharmaceutical aerosols deposition in the respiratory system via CFD-DEM simulations within the RANS framework is currently missing. Often, inadequately clarified assumptions and approximations and the lack of evidences on their quantitative impact on the simulated deposition phenomenology, make a direct comparison among the different theoretical studies and the limited number of experiments a very challenging task. Here, with the ultimate goal of providing a critical analysis of some crucial computational aspects of aerosols deposition, we address the issues of velocity fluctuations propagation in the upper intra-thoracic airways and of the persistence of secondary flows using the SimInhale reference benchmark. We complement the investigation by describing how methodologies used to drive the flow through a truncated lung model may affect numerical results and how small discrepancies are observed in velocity profiles when comparing simulations based on different meshing strategies.

A critical analysis of the CFD-DEM simulation of pharmaceutical aerosols deposition in extra-thoracic airways.

Recent advances in the characterization of the human respiratory system and in multi-phase flow dynamics in complex geometries have led numerical simulations to play an expanding role for exploring aerosol deposition mechanisms in the lungs. However, the development of an efficient numerical and mathematical description is far from unique, and determining which aspects of the modelling are critical and which details are essentially irrelevant is indeed a difficult task. With the aim of addressing this lack of a rationalized framework, we propose a systematic analysis of pharmaceutical aerosols deposition in the extra-thoracic airways, focusing on several important modelling aspects whose related assumptions and approximations have not always been sufficiently discussed and clarified. We consider the importance of intrinsic time dependent fluctuations of the air flow, highlighting how their contribution in aerosol deposition is as important as the particle-turbulence interaction one. We show how sensitive the turbulence intensity can be to the meshing strategy and how aerosol deposition can be influenced by the latter choice. We demonstrate how a swirling air jet can enhance extra-thoracic deposition compared to a straight one, and how different the deposition patterns can be in case a realistic inhalation profile and aerosol plume are employed.