Regional modeling of the atmospheric fate and transport of benzene and diesel particles.

The Community Multiscale Air Quality model (CMAQ) was modified to simulate the atmospheric fate and transport of benzene and diesel particles. We simulated the July 11-15, 1995 period over a domain covering the eastern United States with a 12-km horizontal resolution and a finer (4 km) resolution over a part of the northeastern United States that includes Washington, DC and New York City. The meteorological fields were obtained from a simulation conducted earlier with the mesoscale model MM5. Gridded emission files for benzene and diesel particles were developed using the SMOKE modeling system. The results of the model simulations showed that benzene concentrations were commensurate with available measurements. Over the 4-km resolution domain, a comparison between simulated and measured 24-h average concentrations showed a fractional error of 0.46, a fractional bias of 0.14, and a coefficient of determination (r2) of 0.25. A comparison between simulated benzene hourly concentrations in New York City and in the Brigantine Wilderness Area, NJ, showed that urban concentrations were greater than the remote area concentrations by a factor of 2-5. The results of the diesel particle simulations showed spatial and temporal patterns that were similar to those obtained for benzene. However, because of the lesser contribution of on-road mobile sources to diesel particle emissions compared to benzene emissions, diesel particle concentrations showed stronger gradients between urban areas and remote areas. A comparison between diesel particle concentrations in New York City and in the Brigantine Wilderness Area, NJ, showed that the urban concentrations were greater than the remote area concentrations by a factor of 2-10. Assuming that diesel particles consist of 50% "elemental" carbon (EC), the simulated EC concentrations were in close agreement (within 10%) with the measured concentration in the urban area (Washington, DC) but were significantly lower than the measured EC concentrations in the remote area (Brigantine Wilderness Area). This result suggests that other sources beside diesel fuel engines contribute to atmospheric EC concentrations and that EC may not be a good surrogate for diesel particles. A comparison of both benzene and diesel particle simulated concentrations between an urban area (New York City) and a remote area (Brigantine Wilderness Area) shows that, at a spatial resolution of 4 km, the regional background may contribute from 10 to 20% to the peak concentrations. These results suggest that the regional background may not be negligible and should be taken into account in urban air toxics studies.