Multiscale Aspects of Modeling Gas-Phase Nanoparticle Synthesis

Overview

Journal Chem Eng Technol

Date 2013 Jun 5

PMID 23729992

Authors

B Buesser

A J Grohn

Affiliations

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Abstract

Aerosol reactors are utilized to manufacture nanoparticles in industrially relevant quantities. The development, understanding and scale-up of aerosol reactors can be facilitated with models and computer simulations. This review aims to provide an overview of recent developments of models and simulations and discuss their interconnection in a multiscale approach. A short introduction of the various aerosol reactor types and gas-phase particle dynamics is presented as a background for the later discussion of the models and simulations. Models are presented with decreasing time and length scales in sections on continuum, mesoscale, molecular dynamics and quantum mechanics models.

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