Experimental and theoretical study of NiMoW, NiMo, and NiW sulfide catalysts supported on an Alsingle bondTisingle bondMg mixed oxide during the hydrodesulfurization of dibenzothiophene

dc.creatorCervantes Gaxiola, Maritza Elizabeth
dc.creatorArroyo Albiter, Manuel
dc.creatorPérez Larios, Alejandro
dc.creatorBalbuena, Perla B.
dc.creatorEspino Valencia, Jaime
dc.date2022-02-09T16:17:11Z
dc.date2022-02-09T16:17:11Z
dc.date2013-11
dc.date.accessioned2023-07-21T21:44:36Z
dc.date.available2023-07-21T21:44:36Z
dc.identifierCervantes-Gaxiola M.E., Arroyo-Albiter M., Pérez-Larios A., Balbuena P.B. & Espino-Valencia J. (2013). Experimental and theoretical study of NiMoW, NiMo, and NiW sulfide catalysts supported on an AlTiMg mixed oxide during the hydrodesulfurization of dibenzothiophene. Fuel, Volume 113, Pages 733-743. ISSN 0016-2361. https://doi.org/10.1016/j.fuel.2013.06.041. https://www.sciencedirect.com/science/article/pii/S0016236113005826.
dc.identifier2666-0520
dc.identifierhttps://doi.org/10.1016/j.fuel.2013.06.041
dc.identifierhttps://www.sciencedirect.com/science/article/pii/S0016236113005826
dc.identifierhttp://repositorio.cualtos.udg.mx:8080/jspui/handle/123456789/1249
dc.identifier.urihttps://repositorioslatinoamericanos.uchile.cl/handle/2250/7752725
dc.descriptionArtículo
dc.descriptionAbstract This work presents a comparative study of the structural, textural, superficial, morphological, electronic, and catalytic properties of NiMo, NiW and NiMoW/Alsingle bondTisingle bondMg sulfide catalysts during the hydrodesulfurization (HDS) of dibenzothiophene (DBT). The Alsingle bondTisingle bondMg mixed oxide support was synthesized by the sol–gel method, the catalysts were synthesized by the co-impregnation method using an atomic ratio of Ni = Ni/(Ni + metals) = 0.5 and a molar ratio of Mo:W (1:1). The materials were characterized by XRD, FT-IR spectroscopy, FT-IR pyridine adsorption, N2 physisorption, UV–Vis DRS, Raman spectroscopy and SEM. The catalytic activity was evaluated using a high-pressure batch reactor at 350 °C and 3.1 MPa. The catalyst surfaces were analyzed using Density Functional Theory (DFT) to elucidate their activity differences. The catalytic activity during HDS–DBT indicated that the best catalyst was NiMoW. This catalyst exhibited adequate pore size and high specific surface area, coupled with the presence of Ni, Mo and W species in octahedral coordination, as well as good morphological properties. DFT calculations revealed that the NiMoW catalyst surface possesses unique electronic properties, such as the lowest surface energy and the highest density of d-type states over the Fermi level compared to NiMo and NiW catalyst surfaces.
dc.languageen
dc.publisherElsevier
dc.relationFUEL;Vol. 113, Nov 2013, Pag 733-743
dc.subjectNiMoW
dc.subjectNiMo and NiW catalysts
dc.subjectAlsingle bondTisingle bondMg mixed oxide
dc.subjectDibenzothiophene hydrodesulfurization
dc.subjectDFT
dc.titleExperimental and theoretical study of NiMoW, NiMo, and NiW sulfide catalysts supported on an Alsingle bondTisingle bondMg mixed oxide during the hydrodesulfurization of dibenzothiophene
dc.typeArticle


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