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《环境科学学报(英文版)》2023,35(4):396-407
Based on the experimental and theoretical methods, the NO selective catalytic oxidation process was proposed. The experimental results indicated that lattice oxygen was the active site for NO oxide over the -MnO2(110) surface. In the theoretical study, DFT (density functional theory) and periodic slab modeling were performed on an -MnO2(110) surface, and two possible NO oxidation mechanisms over the surface were proposed. The non-defect -MnO2(110) surface showed the highest stability, and the surface Os (the second layer oxygen atoms) position was the most active and stable site. O2 molecule enhanced the joint adsorption process of two NO molecules. The reaction process, including O2 dissociation and O=N-O-O-N=O formation, was calculated to carry out the NO catalytic oxidation mechanism over -MnO2(110). The results showed that NO oxidation over the -MnO2(110) surface exhibited the greatest possibility following the route of O=N-O-O-N=O formation. Meanwhile, the formation of O=N-O-O-N=O was the rate-determining step. 相似文献
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IntroductionChlorinatedorganiccompoundshavebeenusedonalargescaleinthechemical,petrochemical,andelectronicindustries.Inrecentyears ,worldwideattentionhasbeengiventotheenvironmentalandhealthimpactofthemasaclassofcontaminants .Severalareknowntocauseozonedepletion ,whileothersproduceadverseeffectsonthehumancentralnervoussystemandhavebeenlinkedtodiseasessuchascancer.Almostallofthechlorinatedaromaticcompoundsaretoxicandthermallystable .Oncereleasedintoenvironment,theywillaccumulateinthesurroundings… 相似文献
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The preparation of immobilizing-catalysts for decomposing ozone by using dipping method was studied. XRD, XPS and TEM were used to characterize the catalysts. The three kinds of catalysts were selected preferentially, and their catalytic activities were investigated. The results showed that the catalyst with activated carbon dipping acetate( active components are Mn:Cu = 3:2, active component proportion in catalyst is 15%, calcination temperature is 200℃ ) has the best catalytic activity for ozone decomposing. One gram of catalyst can decompose 17.6g ozone at initial ozone concentration of 2.5g/m^3 and the residence time in reactor of 0.1s. The experimental results also indicated that humidity of reaction system had negative effect on catalytic activity. 相似文献
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