Incorporation of film theory in single droplet combustion model for prediction of precursor release in flame spray pyrolysis

Abstract

The precursor release rate during flame synthesis has been shown to influence the uniformity of synthesized particles. However, its quantification through single droplet combustion modeling was based on its immediate release from the droplet without considering the effect of the mass boundary layer surrounding the droplet. Here, the film theory is applied with the single droplet combustion model to understand the precursor release in the droplet. The resulting mass boundary layer thickness is coupled with droplet temperature to qualitatively investigate precursor release in flame spray pyrolysis. It is shown that small droplets can enhance the precursor release rate due to their small mass boundary layer thickness and higher heating rate. Increasing the EHA content in the EHA/toluene solvent mixture reduces the mass boundary layer thickness and increases the droplet temperature due to EHA's low specific heat capacity. Using droplet sizes estimated by the phase Doppler interferometry, the model shows that the temporal droplet temperature profile remains relatively constant for six synthesis conditions. Concurrently, the mass boundary layer thickness is increased when the liquid and oxygen flow rates are reduced, and atomizing pressure drop is enhanced, resulting in the overall suppression of precursor release from the droplet and consequently increased formation of smaller-size primary particles. Insight into the relative tendencies of the pure gas-to-particle formation route during the synthesis was also derived as a function of the synthesis conditions. This new methodology for the characterization of precursor release is essential for a more accurate understanding and design of homogeneous nanomaterial using flame spray pyrolysis.