On the impact of differential diffusion between soot and gas phase species in turbulent flames

Abstract

The molecular diffusivities of larger PAHs and soot particles approach zero leading to differential diffusion with gas-phase species. The present work systematically quantifies the impact on soot moments, soot related statistical correlations and Particle Size Distributions (PSDs) using a fully coupled transported joint probability density function (JPDF) method featuring a 78-dimensional joint-scalar space, including enthalpy, gas phase species with the PSD discretised using 62 size classes via a mass and number density preserving sectional method. Differential diffusion of soot (DDS) is treated via a gradual decline of diffusivity among soot sections maintaining realisability and the expected exponential decay of variance. The solution of the flow field features a time-dependent second moment closure and an elliptic solver. The turbulent non-premixed Sandia C2H4 flame from the International Sooting Flame (ISF) data base was selected as a target along with the KAUST (C2H4/N2) variant of the same flame. Results show that reduced soot diffusion leads to a significant increase in the soot volume fraction RMS and that the correlation coefficient between soot volume fraction and temperature is further reduced in a particle-size-dependent manner. Similar observations are made for correlations between the soot volume fraction and the mass fractions of gas-phase species such as CO, OH, H and C2H2. The results suggest that computational methods that presume explicit (e.g. flame structure related) correlations between such scalars and with soot face leading order modeling challenges. It is also shown that the correlation between CO and soot increases due to oxidation of soot and that DDS leads to a modest downstream shift of PSDs towards larger particles.