Iron oxide nanoparticle synthesis: Simulation-based comparison of laboratory- and pilot plant-scale spray-flame synthesis

Abstract

This study analyzes burner scale-dependent effects for iron-oxide nanoparticles synthesis in spray flames through a combined experimental and numerical approach. A laboratory- and a pilot plant-scale synthesis facility generate iron oxide nanoparticles from iron nitrate dissolved in ethanol/2-ethylhexanoic acid solvents on the 0.5 and 15 g/h scale, respectively. Phase Doppler measurements supply initial conditions for spray development in the numerical approach, while in situ OH* chemiluminescence and multi-line nitric oxide laser-induced fluorescence (NO-LIF) thermometry provide experimental data for comparison with simulation results of the pilot plant burner. Ex situ particle sizing by gas adsorption according to Brunauer-Emmet-Teller (BET) and transmission electron microscopy (TEM), along with phase composition determination via X-ray diffraction (XRD), are used to compare products of both burners and the corresponding simulations. The numerical approach employs a Reynolds-averaged Eulerian-Lagrangian description of the flow in combination with a flamelet/progress variable (FPV) combustion and monodisperse particle model to reflect spray-flame synthesis. Despite similar chemiluminescence between experiment and simulation, more significant discrepancies are observed in NO-LIF thermometry and particle sizing. Nanoparticle formation and growth at both burner scales is investigated using the numerical method. Special attention is directed to the high-temperature particle residence time (HTPRT). Notably, the average temperature–time profiles particles experience are almost identical in the burners, although their geometric scales and designs differ substantially. Simulation results show that while the primary particle diameter remains mostly consistent, the pilot-scale burner produces larger particle agglomerates than the laboratory burner. The difference is attributed to an increased particle number concentration during the initial formation of soft agglomerates. The findings demonstrate that, despite retaining a similar HTPRT, the overall flow conditions and liquid spray dispersion, which impact the distribution of the particle number concentration, influence the final agglomerate size.