Computational and experimental studies of mercury adsorption on unburned carbon present in fly ash

摘要: Abstract Unburned carbon (UBC) present in fly ash has been shown to adsorb mercury. In this work mercury adsorption onto the surface of UBC particles was investigated by using both computational and experimental methods. The surfaces were assumed be similar that graphene (single-layer graphite). theoretical predictions Hartree–Fock method found zigzag edge carbonaceous cluster (C 25 H 9 ) used provides stronger forces attract compared armchair 24 8 ), probably resulting greater removal from flue gases. on simulated a chemical process, with predicated energy 288.632 kJ/mol at room temperature. Furthermore, as temperature increases slightly raises. studies showed decreasing particle size resulted higher uptake. Increasing bed length uptakes. Particle can affect sorbent capacity, study ranging between 125 250 μm seem more effective for adsorption.