As the solid waste by-product from the delayed coking process, high-sulfur petroleum coke (HSPC), which is hardly used for green utilization, becomes a promising raw material for Hg0 removal from coal-fired flue gas. The effects of the physical-chemical evolution of HSPC on Hg0 removal are discussed. The improved micropores created by pyrolysis and KOH activation could lead to over 50% of Hg0 removal efficiency with the loss of inherent sulfur. Additional S-containing and Br-containing additives are usually introduced to enhance active surface functional groups for Hg0 oxidation, where the main product are HgS, HgBr, and HgBr2. The chemical-mechanical activation method can make additives well loaded on the surface for Hg0 removal. The DFT method is used to sufficiently explain the micro-scale reaction mechanism of Hg0 oxidation on the surface of revised-HSPC. ReaxFF is usually employed for the simulation of the pyrolysis of HSPC. However, the developed mesoporous structure would be a better choice for Hg0 removal in that the coupled influence of pore structure and functional groups plays a comprehensive role in both adsorption and oxidation of Hg0. Thus, the optimal porous structure should be further explored. On the other hand, both internal and surface sulfur in HSPC should be enhanced to be exposed to saving sulfur additives or obtaining higher Hg0 removal capacity. For it, controllable pyrolysis with different pyrolysis parameters and the chemical-mechanical activation method is recommended to both improve pore structure and increase functional groups for Hg0 removal. For simulation methods, ReaxFF and DFT theory are expected to explain the micro-scale mechanisms of controllable pyrolysis, the chemical-mechanical activation of HSPC, and further Hg0 removal. This review work aims to provide both experimental and simulational guidance to promote the development of industrial application of Hg0 adsorbent based on HSPC.
Keywords: Hg0 removal; ReaxFF and DFT theory; chemical-mechanical activation; controllable pyrolysis; exposure of inherent S; high-sulfur petroleum coke; pore structure.