Investigations of the ODS process utilizing CNT- and CNF-based WO3 catalysts for environmental depollution: experimental and theoretical aspects

In this contribution, CoW/X materials (X = CNT or CNF) were utilized as oxidative desulfurization (ODS) catalysts for the removal of dibenzothiophene (DBT) from a model fuel (n-decane), incorporating the H 2 O 2 as an efficient oxidant. Different operating conditions were investigated. Both compounds revealed high desulfurization efficiency using milder operating conditions leading to low levels of the DBT compound since only 1 h while using a low ratio of H 2 O 2 /S = 6. Among synthesized compounds, the CoW (15)/CNT showed superior DBT conversion through the ODS process. In other words, the highest sulfur removal efficiency of 100% for a feed sulfur content of 500 ppm was determined in a 40-min duration under optimum conditions. This was satisfyingly more effective than a recently reported CoW (20)/rGO catalyst. The characterization of synthesized catalysts was performed in order to evaluate their physicochemical properties. Moreover, product identification of the oxidation desulfurization process was performed using the GC-Mass, FTIR, and NMR techniques where it was found that this process was that of a single product. These experimental studies were complemented with density functional theory (DFT) investigations, which indeed shed important light on understanding the adsorption mechanisms as well as electronic properties of the system undertaken. Graphical abstract