Please use this identifier to cite or link to this item:
Full metadata record
DC FieldValueLanguage
dc.contributor.authorSuparada Kamchompooen_US
dc.contributor.authorTanabat Mudchimoen_US
dc.contributor.authorYutthana Wongnongwaen_US
dc.contributor.authorManaschai Kunasethen_US
dc.contributor.authorSiriporn Jungsuttiwongen_US
dc.identifier.citationChiang Mai Journal of Science 47, 1 (January 2020), 195-206en_US
dc.description.abstractThe HDS reaction is one of the most important hydrotreating processes in petroleum refineries that use for removal of sulfur (S) compound from the crude oil. In this work, the adsorption of thiophene (C4H4S), benzothiophene (C8H6S), and hydrogen sulfide (H2S) on pure and transition metals (V, Ni, Co, Fe) doped niobium sulfide (NbS2) surface were investigated by density functional theory (DFT) calculations to further investigate the HDS reaction mechanism of S-containing compounds on this surface. The results show that in all case, the H2S, C4H4S and C8H6S preferred to adsorb on the metal edge sites (M-edge) of V doped NbS2 (V/NbS2) surface with adsorption energies (Eads) of -0.80, -0.79 and -1.38 eV, respectively. It was found that the C8H6S shows strongest adsorption energy because it exhibits significantly stronger π-interaction between C8H6S and V/NbS2 surface, compared to others. The understanding gained in the current study might be helpful in the development of active catalysts for the HDS reaction of S-containing compounds in petroleum oil production.en_US
dc.publisherScience Faculty of Chiang Mai Universityen_US
dc.subjecttransition metals doped niobium sulfide surfaceen_US
dc.subjectS-containing compoundsen_US
dc.subjecthydrotreating processesen_US
dc.titleTheoretical Study of Sulfur-containing Compounds Adsorption on Transition Metals (V, Ni, Co, Fe) Doped NbS2 Surface for Hydrodesulfurization Reactionen_US
Appears in Collections:CMUL: Journal Articles

Files in This Item:
There are no files associated with this item.

Items in CMUIR are protected by copyright, with all rights reserved, unless otherwise indicated.