CO hydrogenation reaction

The replacement of noble metals in homogeneous catalysts for the current CO2 hydrogenation reaction with 3D transition metals (Fe, Co, Ni and Mn), with lower costs, have attracted a great attention of many research groups to the interconversion of chemical and electrical energy, like CO2 and H2.

5p vikwong 29-09-2024 3 2   Download

Research purpose: Using computational chemistry methods to study the mechanism of hydrogenation CO on the transition metal catalyst systems of Ni, Cu, Co, bimetallic catalysts NiCu, CoCu and catalytic systems bearing cluster on oxide carriers: MgO, Al2O3 and activated carbon (AC); compare and clarify the role of catalyst centers in single or bimetallic catalyst systems; clarifies the role of carriers (MgO, Al2O3 and AC) in the hydrogenation of CO.

27p thebadguys 08-06-2021 26 4   Download

The catalyst 7.5% NiO/TiO2 and seven samples of NiO/γ-Al2O3 with NiO content from 7.5% to 60% have been obtained and studied. Physico-chemical characteristics of the catalysts were determined by methods of Adsorption (BET), X-ray Diffraction (XRD), TemperatureProgrammed Reduction (TPR) and Hydrogen Pulse Titration. The catalytic properties of the obtained samples were investigated in the reaction of CO methanation at temperatures 180 – 220◦C and mole ratios hydrogen/carbon monoxide 25-100.

16p 12120609 01-06-2020 6 1   Download

Trichloroisocyanuric acid synthesis process was studied by using DFT method. The obtained results demonstrate that the keto-enol isomerization of the cyanuric acid is a base-catalyzed reaction. It is possible that in the presence of NaOH the process of moving hydrogen in the cyanuric acid molecule and the reaction of neutralizing cyanuric acid can execute consecutively. And in this case NaOH plays the role as a donor of hydroxyl group catalyzing the movement of hydrogen and as neutralizing agent in an exothermal process.

6p uocvong04 24-09-2015 61 3   Download