Hydrodesulfurization of benzothiophene on Ni2P surface

The study of benzothiophene hydrodesulfurization reaction path contribute to clarifying the mechanism of hydrodesulfurization (HDS) of heavy oil. In this work, experiments and simulations were combined to study the reaction pathway of benzothiophene hydrodesulfurization catalyzed by Ni2P. In experimental part, Ni2P catalyst was prepared and characterized. Then, the catalytic property of the catalyst for benzothiophene hydrodesulfurization was evaluated. The substance types and contents in the liquid phase products were detected to verify the accuracy of the simulation results. Dmol3 module of the Materials Studio (MS) simulation software was used to simulate the adsorption and hydrodesulfurization of benzothiophene on the surface of Ni2P catalyst and explore the most probable reaction path. The results showed that the most stable adsorption configuration of benzothiophene on the surface of Ni2P was Ni-hcp. In addition, indirect desulfurization of benzothiophene was more advantageous than direct desulfurization. The most possible path for indirect desulfurization was Benzothiophene (BT) – Dihydrobenzothiophene (DHBT) – C8H9S2 – 2-phenylethyl mercaptan (PET) – Ethylbenzene (EB), while that of direct desulfurization was Benzothiophene (BT) – C8H7S2 – Styrene thiol (CMT) – Styrene (ST) – Ethylbenzene (EB).

Effect of Support on the Performance of CoMoRe Catalyst in Thiophene and Benzothiophene Hydrodesulfurization

This work is aimed at selection of a suitable support for CoMoRe catalyst in hydrodesulfurization (HDS) of thiophenes. g-Al2O3 and g-Al2O3-HMS were used as a support for CoMoRe catalyst with 4%Co, 8%Mo and 0.5%Re loading. The metal loading was incorporated by using the pore volume impregnation method, employing aqueous solutions of cobalt (II) nitrate, ammonium molibdate and rhenium (VII) oxide. The catalysts were sulfided with dimethyl disulphide at 250 �C for 10 h and finally tested in the HDS reaction of thiophene and benzothiophene in different temperature and pressure conditions. The catalysts were characterized by determining the adsorption isotherms, the pore size distribution and the acid strengt, FTIR, XRD and S EM. T he catalyst supported on g - Al2O3 displayed higher activity than catalyst supported on g-Al2O3-HMS. The results suggest that activity is favoured by the suitable textural and acidic properties of the support.

The Effect of γ-Al2O3, TiO2 and ZrO2 Supports on Hydrodesulfurization Activity of Transition-Metal Sulfides

The transition metals V, Cr, Mn, Fe, Co, Ni, Mo, Ru, Rh, Pd, W, Re, Os, Ir and Pt were deposited from aqueous solutions of their salts onto conventional γ-Al2O3 and unconventional TiO2 and ZrO2 supports by vacuum impregnation and characterized in their sulfided form by a model reaction of benzothiophene hydrodesulfurization. It was found that the TiO2 and ZrO2 supports influenced predominantly positively the resulting activity of relatively low-active metals (V, Cr, Mn, Fe, Co, Ni, Mo, Ru, W and Os), whereas the highly active metals (Rh, Pd, Ir, Pt and Re) were influenced slightly negatively or not at all by those supports compared with the γ-Al2O3-supported system. A significant effect of the supports on the hydrodesulfurization-activity ranking of the transition-metal sulfides studied was ascertained.