Catalytic activity of synthesized 2D MoS 2 /graphene nanohybrids for the hydrodesulfurization of SRLGO: experimental and
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RESEARCH ARTICLE
Catalytic activity of synthesized 2D MoS2/graphene nanohybrids for the hydrodesulfurization of SRLGO: experimental and DFT study Zohal Safaei Mahmoudabadi 1 & Ahmad Tavasoli 1 & Alimorad Rashidi 2
&
Mehdi Esrafili 3
Received: 10 September 2020 / Accepted: 15 September 2020 # Springer-Verlag GmbH Germany, part of Springer Nature 2020
Abstract 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. Keywords Hydrodesulfurization (HDS) . SRLGO . 2D MoS2/G . Nanohybrid . DFT
Introduction In order for environmental protection demands the removal of heteroatoms such as nitrogen and sulfur from fuels. This universal requisition for clean fuels leads to rigid law to control
Responsible Editor: Santiago V. Luis Electronic supplementary material The online version of this article (https://doi.org/10.1007/s11356-020-10889-8) contains supplementary material, which is available to authorized users. * Ahmad Tavasoli [email protected] * Alimorad Rashidi [email protected] 1
School of Chemistry, College of Science, University of Tehran, Tehran, Iran
2
Nanotechnology Research Center, Research Institute of Petroleum Industry, Tehran, Iran
3
Department of Chemistry, University of Maragheh, Maragheh, Iran
the environmental effects of fuels on the environment and human beings. For example, producing ultra-low sulfur fuels (< 10 ppm) from oils adapted to Euro V standard of fuel (Shang et al. 2013, 2019; Guo et al. 2019). An essential industrial process for removing sulfur from fuels is HDS which frequently acts with molybdenum disulfide (MoS2) catalysts, and along with Co or Ni as promotors, and is usually supported on Al2O3 (Huang et al. 2011; Dimitriadis and Bezergianni 2016). In addition, recent reports o
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