Sparse-Lagrangian PDF Modelling of Silica Synthesis from Silane Jets in Vitiated Co-flows with Varying Inflow Conditions

• Published in: Flow, turbulence and combustion turbulence and combustion, 2021-04, Vol.106 (4), p.1167-1194
• Main Authors: Neuber, Gregor, Kronenburg, Andreas, Stein, Oliver T., Garcia, Carlos E., Williams, Benjamin A. O., Beyrau, Frank, Cleary, Matthew J.
• Format: Article
• Language: English
• Subjects: Agglomeration; Automotive Engineering; Boundary conditions; Computational fluid dynamics; Doping; Elastic scattering; Engineering; Engineering Fluid Dynamics; Engineering Thermodynamics; Fluid flow; Fluid- and Aerodynamics; Heat and Mass Transfer; Large eddy simulation; Laser diagnostics; Light scattering; Nanoparticles; Parameter sensitivity; Particle size distribution; Precursors; Probability density functions; Qualitative analysis; Reynolds number; Silicon dioxide; Simulation; Synthesis; Transport equations
• ISSN: 1386-6184; 1573-1987
• DOI: 10.1007/s10494-020-00140-2

This paper presents a comparison of experimental and numerical results for a series of turbulent reacting jets where silica nanoparticles are formed and grow due to surface growth and agglomeration. We use large-eddy simulation coupled with a multiple mapping conditioning approach for the solution of the transport equation for the joint probability density function of scalar composition and particulate size distribution. The model considers inception based on finite-rate chemistry, volumetric surface growth and agglomeration. The sub-models adopted for these particulate processes are the standard ones used by the community. Validation follows the “paradigm shift” approach where elastic light scattering signals (that depend on particulate number and size), OH- and SiO-LIF signals are computed from the simulation results and compared with “raw signals” from laser diagnostics. The sensitivity towards variable boundary conditions such as co-flow temperature, Reynolds number and precursor doping of the jet is investigated. Agreement between simulation and experiments is very good for a reference case which is used to calibrate the signals. While keeping the model parameters constant, the sensitivity of the particulate size distribution on co-flow temperature is predicted satisfactorily upstream although quantitative differences with the data exist downstream for the lowest coflow temperature case that is considered. When the precursor concentration is varied, the model predicts the correct direction of the change in signal but notable qualitative and quantitative differences with the data are observed. In particular, the measured signals show a highly non-linear variation while the predictions exhibit a square dependence on precursor doping at best. So, while the results for the reference case appear to be very good, shortcomings in the standard submodels are revealed through variation of the boundary conditions. This demonstrates the importance of testing complex nanoparticle synthesis models on a flame series to ensure that the physical trends are correctly accounted for.