Multiphysics Simulation on Nanoparticle Environmental Paths and Recovery

Abstract

While direct and quantitative measurements of nanomaterials in complex environmental matrices remain challenging, environmental fate models can be used alternatively for estimating nanomaterial distributions in the environment. Since experimental approaches are not only time-consuming, but also cumbersome and expensive, mathematical models and multiphysics simulations could help facilitate the understanding of environmental paths, transport, and interaction of nanomaterials in various systems and how such processes can be optimized to achieve their maximum recovery. Throughout this chapter, current engineered nanomaterial exposure models are largely classified into three types: material flow analysis models, multimedia compartmental models and spatial river/watershed models. Material flow analysis models, which have already been used to derive predicted environmental concentrations, are also used to estimate the release of nanomaterials as inputs to environmental fate models. Furthermore, this chapter reviews and critically analyzes the latest developments in mathematical modeling and simulation techniques that have been reported for nanoparticle recovery by discussing the challenges ahead. The research gaps in the modeling approach are also analyzed with the aim of further enlightening the modeling on nanoparticle environmental paths and recovery.