| Abstract [eng] |
A kinetic model for modeling H2/D2 isotopic exchange has been developed to characterize interactions between hydrogen species and ruthenium-based catalysts, referencing experimental results for such interactions found in literature. Processes, described by kinetic equations, and included in this kinetic model are adsorption on ruthenium sites, isotopic equilibration reaction on noble metal, desorption from the metal to the gas phase, and surface diffusion from the metal nanocluster to the support, as well as from the support to the cluster. The curves obtained by using the kinetic model computer code showed good agreement with the experimental data, therefore, the calculations have been extended beyond repeating the experiment – to analyze the influence of different parameters on the catalytic processes. Volume of the reactor, surface area of the noble metal in the catalyst, metal dispersion, mass, and mass fraction in the catalyst were separately analyzed in terms of their effect on the partial pressure. The reaction rate, that fits the experimental results, was found, as well as the influence of the reaction rate on the partial pressures has been analyzed. Surface diffusion was included in the kinetic model to show the effect it has on the surface concentration values of hydrogen and deuterium, not only on the metal sites, but also on the support. |
