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Bond-Order Conservation-Morse Potential (BOC-MP) method is used in order to carry out the calculation. One of the best catalysts for methanol synthesis in catalytic reduction of CO2 with H2O is Cu/ZnO/Al2O3 whose surface is supported by with some amount of Pd or Ga. Reduction of CO2 with H2O on Cu will result in methanol formation; while on Ni will lead to methane formation. In the mechanism of methanol synthesis from CO2+ H2O on Cu, the formate (HCOO) hydrogenation step is ratedetermining step and in the mechanis...

In this study, the efficiency of EC/UV/TiO2 and EC/UV/ZnO coupled systems, on the decolorization of C.I. Acid Yellow 23 (AY23) as a model contaminant was compared. It was found that for the efficient decolorization of 40 mg L-1 of AY23 using steel304/Al (anode/cathode) as electrodes, with the distance of 15 mm, I = 120 A m-2, electrolyte concentration was 800 mg L-1 for both systems, but pH and initial concentrations of catalysts were 5.53, 800 mg L-1 for TiO2 and 6.29, 650 mg L-1 for ZnO systems, respectively. Th...

The decolorization of Acid Yellow 42 (AY42) by Fenton and electro-Fenton processes was compared. The effect of operational parameters was studied and the desired conditions obtained in the initial dye concentration of 120 mg L-1 for H2O2/ Fe2+ ([H2O2]=800 mg L-1, [Fe2+]=0.2 mmol, pH=3) and electrolysis/Fe2+/H2O2 ([H2O2]=1100 mg L-1 , [Fe2+]= 0.5 mmol, pH=3.5 and distance of electrodes 10 mm) systems. The Fenton process proved to be more efficient and occurs at a higher oxidation rate than electro-Fenton process an...

The goals of the present work are: (1) A theoretical analysis of possible reaction pathways to the synthesis of methanol and methane from CO2 and H2O and the selection of the best path from the view point of energy. (2) Investigation of the kinetic of assumed reactions. For determination of mechanism, BOC-MP method is used. By using of this theory, it is possible to calculate the thermodynamic and kinetic parameters and therefore predict the intermediates and the mechanism of heterogeneous catalytic reaction. With...