Development and evaluation of the Screening Trajectory Ozone Prediction System (STOPS, version 1.0)

Abstract. A hybrid Lagrangian–Eulerian based modeling tool has been developed using the Eulerian framework of the Community Multiscale Air Quality (CMAQ) model. It is a moving nest that utilizes saved original CMAQ simulation results to provide boundary conditions, initial conditions, as well as emissions and meteorological parameters necessary for a simulation. Given that these files are available, this tool can run independently of the CMAQ whole domain simulation, and it is designed to simulate source–receptor relationships upon changes in emissions. In this tool, the original CMAQ's horizontal domain is reduced to a small sub-domain that follows a trajectory defined by the mean mixed-layer wind. It has the same vertical structure and physical and chemical interactions as CMAQ except advection calculation. The advantage of this tool compared to other Lagrangian models is its capability of utilizing realistic boundary conditions that change with space and time as well as detailed chemistry treatment. The correctness of the algorithms and the overall performance was evaluated against CMAQ simulation results. Its performance depends on the atmospheric conditions occurring during the simulation period, with the comparisons being most similar to CMAQ results under uniform wind conditions. The mean bias for surface ozone mixing ratios varies between −0.03 and −0.78 ppbV and the slope is between 0.99 and 1.01 for different analyzed cases. For complicated meteorological conditions, such as wind circulation, the simulated mixing ratios deviate from CMAQ values as a result of the Lagrangian approach of using mean wind for its movement, but are still close, with the mean bias for ozone varying between 0.07 and −4.29 ppbV and the slope varying between 0.95 and 1.06 for different analyzed cases. For historical reasons, this hybrid Lagrangian–Eulerian based tool is named the Screening Trajectory Ozone Prediction System (STOPS), but its use is not limited to ozone prediction as, similarly to CMAQ, it can simulate concentrations of many species, including particulate matter and some toxic compounds, such as formaldehyde and 1,3-butadiene.