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Mercury binding on activated carbon

2006; Wiley; Volume: 25; Issue: 4 Linguagem: Inglês

10.1002/ep.10165

1547-5921

Bihter Padak, Michael Brunetti, Amanda L. Lewis, Jennifer Wilcox,

Analytical chemistry methods development

Abstract Density functional theory has been employed for the modeling of activated carbon (AC) using a fused‐benzene ring cluster approach. Oxygen functional groups have been investigated for their promotion of effective elemental mercury binding on AC surface sites. Lactone and carbonyl functional groups yield the highest mercury binding energies. Further, the addition of halogen atoms has been considered to the modeled surface, and has been found to increase the AC's mercury adsorption capacity. The mercury binding energies increase with the addition of the following halogen atoms, F > Cl > Br > I, with the fluorine addition being the most promising halogen for increasing mercury adsorption. © 2006 American Institute of Chemical Engineers Environ Prog, 2006