The catalytic deoxygenation of phenolic compounds is a crucial step in the valorization of biomass resources, which can effectively enhance the heating value and stability of primary biofuel. In this study, the catalytic mechanism of four Heusler alloy catalysts for the direct deoxidation pathway of phenol was studied through electronic structure regulation by element occupation. We found that Heusler alloys catalysts exhibit excellent catalytic activity in the dissociation activation of H and the cleavage of aryl hydroxyl bond (C-OH) bonds.
View Article and Find Full Text PDFBio-oil derived from biomass fast pyrolysis can be upgraded to gasoline and diesel alternatives by catalytic hydrodeoxygenation (HDO). Here, the novel nitrogen-doped carbon-alumina hybrid supported cobalt (Co/NCA, n = 1, 2.5, 5) catalyst is established by a coagulation bath technique.
View Article and Find Full Text PDFThe detailed atomic-level mechanism of the effect induced by engineering the crystal facet of α-MnO catalysts on NO formation during ammonia-selective catalytic reduction (NH-SCR) was ascertained by combining density functional theory (DFT) calculations and thermodynamics/kinetic analysis. The surface energies of α-MnO with specific (100), (110), and (310) exposed planes were calculated, and the adsorptions of NH, NO, and O on three surfaces were analyzed. The adsorption energies showed that NH and NO molecules could be strongly adsorbed on the surface of the α-MnO catalyst, while the adsorption of O was weak.
View Article and Find Full Text PDFManganese oxide (especially manganese dioxide [MnO]) is an excellent catalytic material for SO removal in flue gas desulfurization. In this study, the effect of crystalline structure of MnO (α-MnO, β-MnO, γ-MnO and δ-MnO) on their activity for SO oxidation was studied based on density functional theory with Hubbard U corrections (DFT + U). The calculated results showed that α-MnO has mild energy barriers of 0.
View Article and Find Full Text PDFThis work proposed a new strategy for the high value utilization of waste straw, in which a Mn-doped carbon/mesoporous silica composite catalyst was prepared by simultaneous utilization of carbon and silicon source from straw for low-temperature denitration. The results showed that the NO conversion rate reached 93% at 180℃ for the composite catalyst with Si/C mass ratio of 35% (Mn/ACMS (35%)). This was significantly higher than those of the activated carbon catalyst (Mn/AC) and mesoporous silica catalyst (Mn/MS), i.
View Article and Find Full Text PDFIn this study, N-rich hierarchical porous carbons (NPCs) were synthesized via one step strategy from cypress sawdust with carbon nitride (CN) loading and KCO activation. NPCs exhibited excellent performance for HS removal with the sulfur capacity up to 426.2 mg/g at room temperature.
View Article and Find Full Text PDFIn this study, hierarchical porous biochar was prepared from poplar sawdust by air oxidation coupling with NH treatment for the removal of toluene. The results showed that the mesopore volume of the sample with air oxidation (PS‒O) increased significantly to 0.263 cm/g from the blank sample (PS, 0.
View Article and Find Full Text PDFPost-combustion flue gas desulfurization and denitrification technologies are essential in achieving the full compliance of fine particulate matter (PM, aerodynamic diameter less than 2.5 μm) air quality standards by 2030 in China as sulfur dioxide (SO) and nitrogen oxides (NO) are the main precursors of PM. Some studies have addressed the performance evaluation of desulfurization technology, but none included the water-soluble ions (sulfate (SO), nitrate (NO), etc.
View Article and Find Full Text PDFA novel nitrogen-containing graphitic mesoporous carbon was prepared through MnO-templated method using polyacrylonitrile (PAN) as both carbon and nitrogen sources, and MnCO as both template and catalyst precursors. The effects of preparation conditions on the physicochemical properties of obtained samples were systematically investigated. The results showed that as the decrease of the weight ratios of PAN and MnO (2:1-1:4), the increase of carbonization temperature (700-900 °C) and pre-oxidation temperature (180-200 °C), the samples had higher specific surface area, mesopores volume and ratios, up to 507 m/g, 0.
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