Particle/gas partitioning for semi-volatile organic compounds (SVOCs) in Level III multimedia fugacity models: Gaseous emissions

Abstract

Atmospheric transport is a global-scale process that moves semi-volatile organic compounds (SVOCs) rapidly from source regions to remote locations, where these chemicals have never been produced or used. Particle/gas (P/G) partitioning of SVOCs during atmospheric transport governs wet and dry deposition, and thereby controls the efficiency and scope of long-range atmospheric transport and fate for these sorts of compounds. Previous work has shown that the assumption of steady state between particulate and gaseous phases in the atmosphere leads to model results that more closely match observations especially for compounds that strongly favor the particulate phase. Here, the practical application of steady-state P/G partitioning in the atmosphere in multimedia fugacity models is presented in greater detail. A method is developed whereby the fugacity of a chemical in the particle-phase is set equal to that in the gaseous phase (a pseudo equilibrium) but still maintains steady state of the chemical between air and aerosols in the atmosphere. This procedure greatly simplifies the application of multimedia fugacity models. Using this approach, a condition of steady state between air and aerosols is developed and applied in a Level III six-compartment six-fugacity model, which becomes a much simpler Level III six-compartment four-fugacity model. This newly-developed model is then applied to data observed during a monitoring program.