Dual Population Balance Monte Carlo Simulation of Particle Synthesis by Flame Spray Pyrolysis

Ivan Skenderović,Gregor Kotalczyk,Frank Kruis

doi:10.3390/pr6120253

Abstract

The Dual Population Balance Monte Carlo Method (DPBMC) takes into account the full size spectrum of the droplet and particle phase. Droplet and particle size distributions are rendered by weighted simulation particles. This allows for an accurate description of particle nucleation and coagulation and droplet combustion, simultaneously. Internal droplet properties such as temperature and concentrations fields are used to define criteria for the onset of droplet breakage in the framework of weighted Monte Carlo droplets. We discuss the importance of droplet polydispersity on particle formation in metal oxide particle synthesis, which is shown to strongly affect particle formation and growth. The method is applied to particle synthesis from metal nitrate precursor solutions with flame spray pyrolysis (FSP) and compared to experiments from literature.

Highlights

Flame spray pyrolysis (FSP) is widely used for synthesis of oxide particles
To evaluate the mass transfer model for particle synthesis from low cost metal nitrate precursors, the simulation results in this chapter are compared qualitatively to the experiments from
We evaluate if calculated temperature and concentration fields provide an explanation for the different combustion behaviour of the metal nitrate precursor solutions as observed by Rosebrock et al In the following, temperature and concentration fields are simulated for an initially 100 μm sized droplet containing 0.5 mol/L Al(NO3 )3, Fe(NO3 )3 or

Summary

Introduction

Flame spray pyrolysis (FSP) is widely used for synthesis of oxide particles. It offers in contrast to conventional flame synthesis more possibilities regarding material choice and design [1]. The main reason is the availability of liquid precursors for a broad spectrum of materials. The synthesis of composite materials is possible by mixing different precursor solutions. The research in this field gained additional traction motivated by economic interests. A production rate of over 100 g/h of nanoparticles can be achieved [2]. This makes the method very promising for large scale production.

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