Catalytic activity of synthesized 2D MoS2/graphene nanohybrids for the hydrodesulfurization of SRLGO: experimental and DFT study
2021
Mahmoudabadi, Zohal Safaei | Tavasoli, Ahmad | Rashidi, Alimorad | Esrafili, Mehdi
Hydrodesulfurization (HDS) of straight run light gas oil (SRLGO) using novel highly active two-dimensional (2D) MoS₂/graphene (G) nanohybrid catalysts is a precursor technology for the production of clean heavy fuel. The aim of this research is the synthesis of 2D MoS₂/G nanohybrid catalysts by use of exfoliation method from commercial bulky MoS₂ and graphite using hydrothermal ball milling system, which is a low-cost, high-yield, and scalable method. These nanohybrid catalysts were characterized by XRD, Raman spectroscopy, XPS, SEM, TEM, STEM, ICP, BET surface, TPR, and TPD techniques. Also, catalytic activities of 2D MoS₂/G nanohybrid catalysts were evaluated under different operating conditions such as temperature, pressure, LHSV, and H₂/Feed (SRLGO) ratio in the HDS reaction. The conversion of the HDS of SRLGO with 14000 ppm sulfur showed a considerably higher activity of 2D MoS₂/G nanohybrid catalyst (99.95% HDS efficiency) compared with the Co-Mo/γAl₂O₃ as a commercial catalyst (90% HDS efficiency) in the operation condition (340 °C, 40 bars, LHSV: 1 h⁻¹and H₂/oil: 600 NL L⁻¹) which is economically valuable. Using density functional theory calculations, the detailed mechanism of the HDS process over MoS₂/G catalyst was explored. It was found that sulfur coverage on the Mo edge of MoS₂ plays an important role in the hydrogenation of sulfur components.
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