Joint-scalar transported PDF modeling of soot formation and oxidation

The ability of the transported probability density function (PDF) approach to reproduce the evolution of mean, rms fluctuations, and conditional PDFs of soot is explored in the context of two turbulent ethylene diffusion flames at Reynolds numbers of 11,800 and 15,600. The chemical similarity between surface reactions and PAH formation is explored on the basis of a second ring PAH analogy, and soot oxidation is accounted for through reactions with O, OH, and O2. The method of moments is used to account for coagulation and agglomeration in the coalescent and fractal aggregate limits. The soot model is coupled with a transported PDF approach closed at the joint-scalar level to directly account for interactions between turbulence, and the solid and gas phase chemistry. The latter is represented by a systematically reduced reaction mechanism for ethylene featuring 144 reactions, 15 solved and 14 steady-state species. Radiation from soot and gas phase species is accounted for through the RADCAL method and the inclusion of enthalpy into the joint-scalar PDF. Predicted temperature and soot statistics compare well with experimental data indicating the practical potential of the approach and the importance of turbulence-chemistry interactions in the context of soot formation and burnout.