A regional atmospheric fate and transport model for atrazine. 1. Development and implementation.

The Community Multiscale Air Quality (CMAQ) modeling system is adapted to simulate the regional transport and fate of atrazine, one of the most widely used herbicides in the United States. Model chemistry and deposition are modified, and a gas-to-particle partitioning algorithm is added to accommodate semivolatile behavior. The partitioning algorithm depends on humidity, temperature, and particulate matter concentration and composition. Results indicate that gaseous atrazine will usually dominate warm season atmospheric concentrations, but particulate form can surpass gas forms when atmospheric humidity is high (> 70%) and less-acidic (pH > 2.5) aqueous aerosol component is present. Implementation of the modified CMAQ for atrazine is illustrated, and, within the limits of our current understanding, preliminary transport and fate patterns appear to be reasonable. This research represents one of the first attempts to include a gas-to-particulate matter partitioning mechanism in an Eulerian grid-model.