Influence of platinum cluster size on reactivity in the process of obtaining ethane from methane
Abstract
AbstractThe paper shows the influence of platinum cluster size on reactivity in the process of obtaining ethane from methane. The enthalpy of activation and geometric parameters of intermediates and transition state for the stage of methane activation on an Al6O9 substrate, As well as geometric parameters of clusters used in calculations of the mechanism of ethane formation from methane have been presented. The alumina was chosen as the substrate material since experimental data indicate that it stabilizes platinum nano clusters. Our calculations confirm this. Upon the adsorption of Pt4 and 3Pt6 clusters on the Al6O9 substrate, the energy of the system decreases by 242.5 and 421.7 kJ/mol, respectively, which is higher than the energies with which we will operate in the future, this is an indicator that the clusters formed on the Pt4Al6O9 and Pt6Al6O9 substrate are stable.