N2 fixation into NH3 is one of the main processes in chemical industry. Plasma catalysis among environmentally friendly alternatives to industrial energy-intensive Haber-Bosch process. However, many questions remain open, such as applicability conventional catalytic knowledge plasma. In this work, we studied performance Al2O3-supported Fe, Ru, Co and Cu catalysts plasma-catalytic synthesis a DB...

The adsorption of a model nerve agent, O,S-dimethyl methylphosphonothiolate (DMPT), on the hydroxylated and unhydroxylated nano-crystalline magnesium oxide surface followed by the nucleophilic attack of ammonia (NH3) is investigated at the M06-2X/6-311++G(d,p) level of theory using the representative cluster models. The geometries of DMPT and NH3 are fully optimized, while the geometry of the o...

The extensive demand for cleaner environment is forcing the chemical industry to use less hazardous materials. In this regard, solid catalysts have lately attracted the attention of scientists and researchers around the world.1–8 By using sufficient amounts of these heterogeneous catalysts, their catalytic activity for ester formation can be equivalent to that of conventional homogeneous cataly...

The governing mechanism of surface reactions is a fundamental concern in heterogeneous catalysis. The Langmuir–Hinshelwood (LH) mechanism is widely accepted to control the surface reactions in many catalytic systems. This contribution derives and compares several important surface rate equations to evaluate their quality of fitting to the experimental data collected for a vapor-phase hydrogenat...

Palladium supported Al2O3 and SiO2 catalysts have been synthesized and evaluated for carbon monoxide oxidation in the presence of ozone. The factors affecting the CO oxidation such as Pd loading (wt%), contact time, reaction temperature and O3/CO molar ratio have been studied. The extent of ozone decomposition on Pd catalysts is proportional to the CO oxidation activity. High reaction temperatu...