Modeling secondary organic aerosol formation via multiphase partitioning with molecular data.

A new model for atmospheric secondary organic aerosol (SOA) is presented for biogenic compounds. It is based to the extent possible on experimental molecular SOA data, and it is compatible with any existing gas-phase chemical kinetic mechanism. Six SOA precursors or groups of precursors are used to represent biogenic monoterpenes and sesquiterpenes.

Modeling mercury in power plant plumes.

Measurements of speciated mercury (Hg) downwind of coal-fired power plants suggest that the Hg(II)/(Hg0 + HgII) ratio (where HgII is divalent gaseous Hg and Hg0 is elemental Hg) decreases significantly between the point of emission and the downwind ground-level measurement site, but that the SO2/(Hg0 + HgII) ratio is conserved. We simulated nine power plant plume events with the Reactive & Optics Model of Emissions (ROME), a reactive plume model that includes a comprehensive treatment of plume dispersion, transformation, and deposition. The model simulations fail to reproduce such a depletion in HgII.

Modeling atmospheric mercury deposition in the vicinity of power plants.

Two mathematical models of the atmospheric fate and transport of mercury (Hg), an Eulerian grid-based model and a Gaussian plume model, are used to calculate the atmospheric deposition of Hg in the vicinity (i.e., within 50 km) of five coal-fired power plants.

Global source attribution for mercury deposition in the United States.

A multiscale modeling system that consists of a global chemical transport model (CTM) and a nested continental CTM was used to simulate the global atmospheric fate and transport of mercury and its deposition over the contiguous United States. The performance of the CTMs was evaluated against available data. The coefficient of determination (r2) for observed versus simulated annual mercury wet deposition fluxes over North America was 0.

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.

Contributions of global and regional sources to mercury deposition in New York State.

A modeling system that includes a global chemical transport model (CTM) and a nested continental CTM (TEAM) was used to simulate the atmospheric transport, transformations and deposition of mercury (Hg). Three scenarios were used: (1) a nominal scenario, (2) a scenario conducive to local deposition and (3) a scenario conducive to long-range transport. Deposition fluxes of Hg were analyzed at three receptor locations in New York State.

On the effect of spatial resolution on atmospheric mercury modeling.

Mathematical modeling of the atmospheric fate and transport of mercury (Hg) was conducted using three nested domains covering global, continental and regional scales with horizontal resolutions of approximately 1000, 100 and 20 km, respectively. Comparisons of modeling results with wet deposition fluxes show a coefficient of determination (r(2)) of 0.45 for the continental simulation and 0.