Detailed modeling of soot particle formation and comparison to optical diagnostics and size distribution measurements in premixed flames using a method of moments

The aim of this study is to extend the previously developed CQMOM soot model by a PSD reconstruction step applying the concept of entropy maximization. Maintaining the efficiency of the CQMOM moment inversion algorithm to close the moment equations, the model extension enables to evaluate the diameter-based PSD in a post-processing step without prescribing a specific shape as input. The updated algorithm is applied to simulate soot formation in two different burner-stabilized premixed C2H4/O2/N2 flames with a very lightly sooting (C/O = 0.67) and a heavily sooting (C/O = 0.77) character. Numerical results are compared to recently published LIF, laser-induced incandescence (LII) and SMPS measurement data. The analysis investigates the model's capability to predict phenomena such as uni- or bimodal distribution shapes and the transition of small nanostructures to agglomerates in the two target flames both of which exhibit very different sooting behaviour.