Subgrid-scale modeling of reacting scalar fluxes in large-eddy simulations of atmospheric boundary layers

In large-eddy simulations of atmospheric boundary layer turbulence, the lumped coefficient in the eddy-diffusion subgrid-scale (SGS) model is known to depend on scale for the case of inert scalars. This scale dependence is predominant near the surface. In this paper, a scale-dependent dynamic SGS model for the turbulent transport of reacting scalars is implemented in large-eddy simulations of a neutral boundary layer. Since the model coefficient is computed dynamically from the dynamics of the resolved scales, the simulations are free from any parameter tuning. A set of chemical cases representative of various turbulent reacting flow regimes is examined. The reactants are involved in a first-order reaction and are injected in the atmospheric boundary layer with a constant and uniform surface flux. Emphasis is placed on studying the combined effects of resolution and chemical regime on the performance of the SGS model. Simulations with the scale-dependent dynamic model yield the expected trends of the coefficients as function of resolution, position in the flow and chemical regime, leading to resolution-independent turbulent reactant fluxes.