Modeling the diurnal cycle of conserved and reactive species in the convective boundary layer using SOMCRUS

For the conserved species, we compare three cases with different combinations of surface fluxes, and CBL and free-troposphere concentrations. We find good agreement of SOMCRUS with LES for the mean concentrations and fluxes of both conserved and reactive species except near the CBL top, where SOMCRUS predicts a somewhat shallower depth, and has sharp transitions in both the mean and turbulence variables, in contrast to more smeared-out variations in the LES due to horizontal averaging.

Furthermore, SOMCRUS generally underestimates the variances and species–species covariances. SOMCRUS predicts temperature–species covariances similar to LES near the surface, but much smaller magnitude peak values near the CBL top, and a change in sign of the covariances very near the CBL top, while the LES predicts a change in sign of the covariances in the lower half of the CBL. SOMCRUS is also able to estimate the intensity of segregation (the ratio of the species-species covariance to the product of their means), which can alter the rates of second-order chemical reactions; however, for the case considered here, this effect is small.

The simplicity and extensibility of SOMCRUS means that it can be utilized for a broad range of turbulence-mixing scenarios and sets of chemical reactions in the planetary boundary layer; it therefore holds great promise as a tool to incorporate these processes within air quality and climate models.