Atmospheric mercury modeling

Bullock Jr, OR, Brehme KA. 2002. Atmospheric mercury simulation using the CMAQ model formulation description and analysis of wet deposition results. Atmos Environ 36 2135-2146. 

Munthe J., and Berg T. (2001) Reply to comment on Atmospheric mercury species in the European Arctic measurement and modeling by Berg et al. Atmos. Environ. 35(31), 5379-5380. 

Petersen G., Iverfeldt A., and Munthe J. (1995) Atmospheric mercury species over central and northern Europe model calculations and comparison with the observations from the Nordic air and precipitation network for 1987 and 1988. Atmos. Environ. 29(1), Al-61. 

Bullock (1997) used the Regional Lagrangian Model of Air Pollution (RELMAP) to simulate the emission, transport, chemical transformation, and wet and dry deposition of elemental mercury gas, divalent mercury gas, and particulate mercury from various point and area source types to develop an atmospheric mercury emissions inventory by anthropogenic source type. The results of the RELMAP model are shown in Table 5-3. On a percentage basis, various combustion processes (medical waste incinerators, municipal waste incinerators, electric utility power production [fossil fuel burning] and nonutility power and heat generation) account for 83% of all anthropogenic emissions in the United States. Overall, of the emissions produced, 41% were associated with elemental mercury vapor (Hg°), 41% with the mercuric form (Hg2+), and 18% was mercury associated with particulates. 

Bullock OR. 1997. Langrangian modeling of mercury air emission, transport, and deposition An analysis of model sensitivity to emissions uncertainty. Atmospheric Sciences Modeling Division Air Resources Laboratory, National Oceanic and Atmospheric Adminstration, Research Triangle Park, NC. 

Lindberg SE, Meyers TP, Taylor GE, Turner RR, Schroeder WH. 1992. Atmosphere/surface exchange of mercury in a forest results of modeling and gradient approaches. J Geophys Res 97 2519-2528. 

Pai P, Karamchandani P, Seigneur C. 1997. Simulation of the regional atmospheric transport and fate of mercury using a comprehensive Eulerian model. Atmos Environ 31 2717-2732. 

Both models apply the same chemical scheme of mercury transformations. It is assumed that mercury occurs in the atmosphere in two gaseous forms—gaseous elemental HgO, gaseous oxidized Hg(II) particulate oxidized Hgpart, and four aqueous forms—elemental dissolved HgO dis, mercury ion Hg2+, sulphite complex Hg(S03)2, and aggregate chloride complexes HgnClm. Physical and chemical transformations include dissolution of HgO in cloud droplets, gas-phase and aqueous-phase oxidation by ozone and chlorine, aqueous-phase formation of chloride complexes, reactions of Hg2+ reduction through the decomposition of sulphite complex, and adsorption by soot particles in droplet water. 

The general structure of a low-resolution multi-compartment model of mercury circulation in the environment was formulated. The atmospheric part of the model was developed and tested. 

Meili M, Bishop K, Bringmark L, Johansson K, Munthe J, Sverdrup H, De Vries W. 2003. Critical levels of atmospheric pollution criteria and concepts for operational modelling of mercury in forest and lake ecosystems. Sci Total Environ 304 83-106. 

This review will focus on theoretical calculations to advance understanding of gas phase oxidafion of gaseous elemental mercury (GEM) by halogen species. Computational and experimental studies to help parameterize models have been performed to make a more reliable description of the dynamics of mercury in the atmosphere so that the consequences of abatement strategies can be assessed. Quantum chemical calculations are the only way to viably investigate the mechanisms and advance what is observed in field and laboratory studies. 

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