Carbonization of Ethylenediamine Coimpregnated CoMo/Al₂O₃ Catalysts Sulfided by Organic Sulfiding Agent

Coimpregnating binary cobalt/molybdenum/alumina (CoMo/Al 2 O 3 ) catalyst with adding ethylenediamine was studied for carbonization, sulfidation, and hydrodesulfurization using experimental methods. In order to understand the mechanism of carburization of active phases, theoretical CoMo/Carbon models were produced using density functional theory (DFT) method. The results from carbonization of the organic component indicate that the formation of support-like carbon species provokes dispersion of active particles and reduces interaction with support at the active sites (Co, Mo), thus enhancing the HDS activity. Theoretical results from DFT show that carbide-like Co–Mo–C structures are more stable, which can be formed by a simultaneous carburization and sulfidation at an unsaturated S or Mo edge of a (Co)MoS x slab with CH 3 SSCH 3 as both carbon and sulfur source.