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Role of CFD based in silico modelling in establishing an in vitro-in vivo correlation of aerosol deposition in the respiratory tract.

Authors
  • Huang, Fen1
  • Zhu, Qixuan2
  • Zhou, Xudong3
  • Gou, Dazhao2
  • Yu, Jiaqi4
  • Li, Renjie4
  • Tong, Zhenbo5
  • Yang, Runyu6
  • 1 School of Energy and Environment, Southeast University, Nanjing 210096, China; Department of Chemical Engineering, Monash University, Clayton, Vic 3800, Australia. , (Australia)
  • 2 School of Materials Science and Engineering, University of New South Wales, Sydney, NSW 2052, Australia. , (Australia)
  • 3 Department of Chemical Engineering, Monash University, Clayton, Vic 3800, Australia. , (Australia)
  • 4 Institute for Process Modelling and Optimization, JITRI, Suzhou 215000, China. , (China)
  • 5 School of Energy and Environment, Southeast University, Nanjing 210096, China. Electronic address: [email protected] , (China)
  • 6 School of Materials Science and Engineering, University of New South Wales, Sydney, NSW 2052, Australia. Electronic address: [email protected] , (Australia)
Type
Published Article
Journal
Advanced drug delivery reviews
Publication Date
Mar 01, 2021
Volume
170
Pages
369–385
Identifiers
DOI: 10.1016/j.addr.2020.09.007
PMID: 32971228
Source
Medline
Keywords
Language
English
License
Unknown

Abstract

Effective evaluation and prediction of aerosol transport deposition in the human respiratory tracts are critical to aerosol drug delivery and evaluation of inhalation products. Establishment of an in vitro-in vivo correlation (IVIVC) requires the understanding of flow and aerosol behaviour and underlying mechanisms at the microscopic scale. The achievement of the aim can be facilitated via computational fluid dynamics (CFD) based in silico modelling which treats the aerosol delivery as a two-phase flow. CFD modelling research, in particular coupling with discrete phase model (DPM) and discrete element method (DEM) approaches, has been rapidly developed in the past two decades. This paper reviews the recent development in this area. The paper covers the following aspects: geometric models of the respiratory tract, CFD turbulence models for gas phase and its coupling with DPM/DEM for aerosols, and CFD investigation of the effects of key factors associated with geometric variations, flow and powder characteristics. The review showed that in silico study based on CFD models can effectively evaluate and predict aerosol deposition pattern in human respiratory tracts. The review concludes with recommendations on future research to improve in silico prediction to achieve better IVIVC. Copyright © 2020 Elsevier B.V. All rights reserved.

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