Abstract The reaction mechanism of plasma‐catalytic ammonia synthesis is not fully understood. MgO supported Ru, Co, Pt, Pd, Cu and Ag catalysts are tested in a DBD plasma at temperature between room 500 °C power 3.8 W 6.4 W. resulting production the presence catalyst can be distinguished into (1) temperature‐independent plasma‐based synthesis, (2) temperature‐dependent synthesis. Turn‐over‐fre...

The H2O splitting mechanism is a very attractive alternative used in electrochemistry for the formation of O3. The most efficient catalysts employed for this reaction at room temperature are SnO2-based, in particular the Ni/Sb-SnO2 catalyst. In order to investigate the H2O splitting mechanism density functional theory (DFT) was performed on a Ni/Sb-SnO2 surface with oxygen vacancies. By calcula...

Under technologically relevant oxygen-rich conditions, the reaction mechanism of CO oxidation over transition metals can be complicated by the formation of oxides. Questions of whether the active surface for CO oxidation is a pristine metal, a surface oxide, or a bulk oxide is still under active debate. In this study, density functional theory calculations are used to model CO oxidation on the ...

We reconsider H2 formation on grain surfaces. We develop a rate equation model which takes into account the presence of both physisorbed and chemisorbed sites on the surface, including quantum mechanical tunnelling and thermal diffusion. In this study, we took into consideration the uncertainties on the characteristics of graphitic surfaces. We calculate the H2 formation efficiency with the Lan...

The activation of oxygen molecules is an important issue in the gold-catalyzed partial oxidation of alcohols in aqueous solution. The complexity of the solution arising from a large number of solvent molecules makes it difficult to study the reaction in the system. In this work, O2 activation on an Au catalyst is investigated using an effective approach to estimate the reaction barriers in the ...

This work deals with kinetics and chemical equilibrium studies of esterification reaction of ethanol with acetic acid.  The esterification reaction was catalyzed by an acidic ion exchange resin (Amberlyst-15) using a batch stirred tank reactor. The pseudo-homogenous and Eley-Rideal models were successfully fitted with experimental data. At first, Eley-Rideal model was examined for heterogeneous...

Eley-Rideal reaction mechanism is studied over rough surface of random deposition model. Two types of rough surface are considered: (1) different rough surface with same surface density and (2) different rough surface with different surface density. Dynamic scaling theory, which is generally applied to the growing surface, is applied for this reaction mechanism to obtain the temporal and spatia...