Experimentally Validated Numerical Models of Nanomaterials

CBET-0834054

Kleinstreuer

Project Summary:

(a) Objectives:

(i) Development and testing of a realistic and accurate computer simulation model for the prediction of engineered nanomaterial transport and deposition in representative respiratory systems of workers, children and seniors.

(ii) Construction of validated, easy-to-use correlations of nanomaterial deposition, based on the validated computer modeling results.

(iii) Generation of nanomaterial absorption and transport results in tissue needed for physiologically-based pharmacokinetics (PBPK) modeling efforts.

(b) Approach: A dual numerical multiphysics approach for obtaining useful nanomaterial deposition results is proposed, considering respiratory system replicas of workers, children and seniors. Transient 3-D computer simulations of: (i) realistic configurations of the upper respiratory tract, and (ii) nasal/oral airways with variable multi-triple bifurcation units, including alveolated ducts, representing the entire respiratory system. Simulation results from task (i) will be thoroughly validated with experimental data sets, while results from approach for task (ii) will be compared to results from (i) and employed to generate an easy-to-use algebraic 'lung model' for inhaled nanoparticle deposition.

(c) Results: Novel fundamental and applied research results are anticipated. As part of NSF's mission, they foster the understanding of the fate of nanomaterial in human respiratory systems, while the applied results aid in EPA's mission to protect human health and DOE's mission to explore the potentially harmful impact of inhaled nanomaterials produced in the energy sector. Specifically, submodel developments for: (a) three-phase flow of solid nanomaterial, inhaled air, and liquid mucus layer; (b) rod-like nanomaterial transport and deposition; (c) fluid-structure interactions of airflow and bronchial/alveolar-walls; and (d) tissue-uptake of nanomaterial are basic advancements never addressed before in the context of the proposed project. The applied research results include realistic experimentally validated tools for predicting inhaled nanomaterial depositions in three susceptible population groups as well as easy-to-use deposition correlations.

Supplemental Keywords: mathematical modeling, ambient polluted air, ultrafine particulate matter, susceptible population groups, risk assessment, health effects.