Mechanism of the Interaction of Ethylene with Atomic Oxygen on a Silver Surface
نویسنده
چکیده
The combustion mechanism of ethylene by atomic oxygen on silver (110) was investigated with the modern tools of surface science. Ethylene was oxidatively dehydrogenated by the adsorbed atomic oxygens to surface hydroxide and a surface residue of carbon atoms. The surface hydroxide intermediates rapidly reacted to yield water and adsorbed atomic oxygen, and the carbon atoms were subsequently oxidized by atomic oxygen to carbon dioxide. This investigation revealed that partially oxygenated hydrocarbons were not formed on the catalyst surface during the combustion of ethylene by
منابع مشابه
The Surface Atomic Oxyradical Mechanism for Ag-Catalyzed Olefin Epoxidationl
We report comprehensive, quantitative, ab initio theoretical estimates for the energetics involved in the Ag-catalyzed epoxidation of olefins. From these estimates, a detailed mechanism is proposed. This mechanism (based on theoretical quantum chemical studies of the interaction of atomic and molecular adsorbates with clusters of Ag atoms) proposes that a surface atomic oxyradical anion is the ...
متن کاملComparison of the Oxidation of Ethylene, Ethane, and Acetylene by Atomic Oxygen on Silver (110)
Ethylene was oxidatively dehydrogenated by the adsorbed oxygen atoms to surface hydroxide and surface carbon atoms. The surface hydroxide intermediates rapidly reacted to yield water and adsorbed atomic oxygen, and the carbon atoms were subsequently oxidized by the oxygen atoms to carbon dioxide. The combustion of surface carbon, reaction step (3), only occurred at temperatures exceeding -400 K...
متن کاملStability of Intermediate States for Ethylene Epoxidation on Ag Cu Alloy Catalyst: A First-Principles Investigation
Ethylene oxide, obtained through partial oxidation of ethylene, is an important compound for the chemical industry, because it is widely used as an intermediate for the production of chemicals such as ethylene glycol, which finds applications as an antifreeze and as a precursor to polymers. The oxidation of ethylene can lead either to the desired product (ethylene oxide, EO) or to the formation...
متن کاملOxidation of Ethylene to Ethylene Oxide by Selenium Modified Silver Catalyst
Oxidation of ethylene to ethylene oxide over silver catalyst and selenium modified catalyst has been studied by continuous flow and pulse techniques over the temperature range of 230-280 °C. The results are discussed in terms of reaction mechanisms proposed by others, rejecting mechanisms which involve peroxide formation. It has been shown that not only selectivity towards ethylene oxide pr...
متن کاملCO Adsorption on the V (100) Surface: A Density Functional Study
Adsorption of CO molecule on the Vanadium surface has been studied by using of the DFT method with LANL2DZ,6-31G* and 6-31G** basis sets by GGA approximation of theory. Using periodic first principles simulations we investigate the interaction of oxygen molecule with regular V (100) surface. The limitation of this approach is the use of thin metallic slabs with a limited range for their coverag...
متن کامل