Investigation of the interactions of mercury with oxygen-containing functional groups on the surface of activated carbons

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The aim of the proposed project is the systematic investigation of the complex interactions of mercury with oxygen-containing functional groups on the surface of activated carbons. Based on experiments we strive for a deep understanding on the molecular scale by modelling, simulating and finally quantifying the chemisorptive processes.To realize reproducible experimental conditions we will chemically modify three basic activated carbons in a defined way by quantitative oxidation rsp. reduction. In addition the ratios of other heteroatoms like chlorine, sulphur or phosphorus are to be modified by impregnation. This proceeding is necessary in order to avoid misinterpretations as these heteroatoms also interact with mercury and they are naturally present in activated carbons due to the raw materials and/or the production process.The modified carbons will be characterized by a set of methods, e.g. elemental analysis, Boehm-titration and measuring of excess isotherms. Based on the characterization, a comprehensive experimental investigation of the mercury interaction with activated carbons is projected. This includes breakthrough experiments in fixed beds as well as temperature programmed desorption (TPD) of mercury loaded adsorbents.The experiments will be analysed not only qualitatively but also in a quantitative way by means of dynamic simulations. The combination of these simulations with the data from the characterization will result in a mechanistic interpretation of the interactions including quantitative parameters like activation energies and orders of reactions.