The oxidation of CO has attracted great interest in recent years because of its important role in enhancing the catalyst durability in fuel cells and in solving the growing environmental problems caused by CO emission. The usually used noble metal nanocatalysts are costly and require high reaction temperature for efficient operation. We report here a density functional theory (DFT) study of low...

The mechanism of the CO oxidation promoted by a neutral Ag(55) cluster was investigated extensively, using density functional theory calculations. The CO oxidation process catalyzed by anionic and cationic Ag(55) clusters was also studied, to clarify the effects of the charge state. The Eley-Rideal (ER) and Langmuir-Hinshelwood (LH) mechanisms were discussed in detail. Six reaction pathways wer...

Mercaptans are commonly present in petroleum products. Their foul odor and highly corrosive nature make them the most undesirable sulfur compounds so they should be removed because of environmental issues. Merox process is used for oxidation of mercaptans to disulfide using air in the presence of alkaline solution and Merox catalyst. In this paper, due to lack of information about the kinet...

Effects of water on the catalytic performances of MoVTeNbO catalyst in the oxidation of propane to acrylic acid have been investigated at different reaction temperatures and different steam contents. Obtained results show that both catalytic performances and catalyst structure are very sensitive to the presence of water vapor in the reaction feed. Presence of water induces some structural modif...

Indirect cholesterol electrochemical oxidation in the presence of various mediators leads to electrophilic addition to the double bond, oxidation at the allylic position, oxidation of the hydroxy group, or functionalization of the side chain. Recent studies have proven that direct electrochemical oxidation of cholesterol is also possible and affords different products depending on the reaction ...

the perovskite-structured la2cuo4 nanoparticles have been synthesized via an ultrasonic-assisted co-precipitation route using octanoic acid as organic surfactant, and the phase composition, morphology, lattice parameters and size of nanoparticles are characterized through fourier transform infrared spectroscopy, x-ray diffraction, scanning electron microscopy and transmission electron microscop...

High oxidative capacity of polyunsaturated fatty acid rich oils is the main problem with their dietary application. The main objectives of this study were to determine the effects of different encapsulants and oil loading levels on nutritive value, fatty acid profile, and oxidative stability of microencapsulated fish oil powders. Four types of wall materials [glucose syrup and maltodextrin base...

Because of its mild reaction condition, relatively high denitrification efficiency and ability of combined removal of various pollutants, the flue gas denitrification technology based on oxidation theory has become a new and feasible method for flue gas denitrification. The technology has been applied extensively and studied in depth. This paper reviews the influencing factors, reaction mechani...

Oxidative chlorination with HCl/H2O2 in 1,1,1-trifluoroethanol was used to transform aryl iodides into aryliodine(III) dihalides. In this instance 1,1,1-trifluoroethanol is not only the reaction medium, but is also an activator of hydrogen peroxide for the oxidation of hydrochloric acid to molecular chlorine. Aryliodine(III) dichlorides were formed in 72-91% isolated yields in the reaction of a...