Coal And Model Compounds Catalytic Cracking With Iron-nickel Sulfide And Zirconium-based Acid

Diphenyl methane (DPM) and Di (1-naphthyl) methane (DNM) were used as coal-relatedmodel compounds to investigate the catalytic activity of iron-nickel sulfide andzirconium-based acids. Then Geting bituminous and its methanol-extraction, residues wereperformed catalytic cracking over zirconium-based acid. Material Studio (MS) was adopted toanalyse the different active surfaces for mechanism analyses. The catalysts and products weretested by advanced analytical instruments,Iron-nickel sulfide were prepared by metal carbonyl pyrolysis over γ-AlOOH. Thecatalytic activity were evaluated by XRD, SEM and DNM cracking. The synergistic effectsbetween iron and nickel were proved and nickel-iron sulfide possesses more stable vacancies inthe crystal lattices than single metal sulfide.The zirconium-based catalysts were prepared by ZrO2immersed by CF3SO3H. Thehighest conversion of DPM was34.86%. The catalytic activity were enhanced after calcinatedand the conversion of DPM increased to95.12%. It was presumed that super acid were formedduring its calcination. The calcinated catalyst were adopted to catalyze Geting bituminous andits methanol-extraction, residue. The extraction rate of methanol-extraction residue was muchhigher than the raw coal. After extracted by methanol, small compounds in coal were extracted,so the bridge bonds in coal tended to react with H2and catalysts.The calculation results from MS showed that the perfect surface of FeS2(100) can notadsorb H2. The defect or doped by nickel surface could elongate the bond length of H2. It isconcluded that the activity of FeS2in direct coal liquefaction resulted from the defect or dopingsurface. The bond elongation rate of H2over SO2-4/ZrO2was2%, whereas overCF3S O3/ZrO2was47%which was the best in the five chosen surface. It is concluded that over ZrO2(111),CF3SO3H is more active that H2SO4.