• 文献标题:   Catalytic activity of synthesized 2D MoS2/graphene nanohybrids for the hydrodesulfurization of SRLGO: experimental and DFT study
  • 文献类型:   Article, Early Access
  • 作  者:   MAHMOUDABADI ZS, TAVASOLI A, RASHIDI A, ESRAFILI M
  • 作者关键词:   hydrodesulfurization hds, srlgo, 2d mos2, g, nanohybrid, dft
  • 出版物名称:   ENVIRONMENTAL SCIENCE POLLUTION RESEARCH
  • ISSN:   0944-1344 EI 1614-7499
  • 通讯作者地址:   Univ Tehran
  • 被引频次:   0
  • DOI:   10.1007/s11356-020-10889-8 EA SEP 2020
  • 出版年:  

▎ 摘  要

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 MoS(2)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 H-2/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/gamma Al(2)O(3)as a commercial catalyst (90% HDS efficiency) in the operation condition (340 degrees C, 40 bars, LHSV: 1 h(-1)and H-2/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 MoS(2)plays an important role in the hydrogenation of sulfur components.