OH radicals play a key role as an intermediate in the water formation chemistry of the interstellar medium. For example the reaction of OH radicals with H2 molecules is among the final steps in the astrochemical reaction network starting from O, O2, and O3. Experimentally it was shown that even at 10 K this reaction occurs on ice surfaces. As the reaction has a high activation energy only atom ...

MXenes have attracted considerable attention owing to their versatile and excellent physicochemical properties. Especially, they potential applications as robust support for single atom catalysts. Here, quantum chemical studies with density functional theory are carried out systematically investigate the geometries, stability, electronic properties of oxygen functionalized Ti2C (Ti2CO2) support...

Volatile organic compounds (VOCs) in cooking oil fumes need to be efficiently removed due the significant damage they cause environment and human health. This review discusses emission characteristics, which are influenced by different temperatures, oils, cuisines. Then, various fume purification methods mainly classified into physical capture, chemical decomposition, combination methods. VOCs ...

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...

Carbon capture and utilisation is one of the most promising techniques to minimize the impact of the increasing amount of carbon dioxide in the atmosphere. Recently, the mineral greigite was shown to be capable of catalysing CO2 conversion, leading to useful small organic molecules. Here, we have carried out a systematic study of the adsorption and selective reduction of CO2 on the Fe3S4{111} s...

Ž . Monte Carlo simulations of Eley]Rideal ER mechanisms with fixed and varying Ž . sticking probabilities, p, as well as a three-step catalytic reaction TCR over fractal surfaces were performed to examine the morphological effect on the above-mentioned reactions. The effect of decay and enhancing profiles on the reaction probability Ž . distribution RPD for the ER reaction as well as effects o...

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The formation of CO2 in the gas phase and on a polyaromatic hydrocarbon surface (coronene) via three possible pathways is investigated with density functional theory. Calculations show that the coronene surface catalyses the formation of CO2 on model grain surfaces. The addition of 3O to CO is activated by 2530 K in the gas phase. This barrier is lowered by 253 K for the Eley–Rideal mechanism a...

Ultrasound accelerates the free fatty acids esterification rate by reducing the mass transfer resistance between methanol in the liquid phase and absorbed organic species on Amberlyst®46 catalyst. The reaction rates of canola oil is three times greater than for tobacco seed oil but half the reaction rate of pure oleic acid as measured in a batch reactor. The beneficial effects of ultrasound vs....