Self-metalation is a promising route to include single metal atom in tetrapyrrolic macrocycle organic frameworks supported by surfaces. The molecule–surface interaction may provide the charge transfer and geometric distortion of molecular plane necessary for inclusion. However, at surface presence an activation barrier can represent obstacle that cannot be compensated higher substrate temperatu...

Manganese oxides (MnOx) have attracted particular attention in the selective catalytic reduction of NOx with NH3 (NH3-SCR) because their excellent low-temperature activity. Herein, we prepared a highly efficient MnO2 (MnO2-M) catalyst through facile ball milling-assisted redox strategy. MnO2-M shows 90% conversion wide operating temperature window 75–200 °C under gas hourly space velocity 40,00...

The Friedel-Crafts acylation of furan to produce 2-acyl by using acetic anhydride is industrially important but it uses highly polluting liquid acids as catalysts. In this study, supported modified heteropoly were used heterogeneous catalysts in a solventless green process. Metal exchanged dodecatungstophosphoric acid (DTP) was loaded on three different supports, and its effect evaluated. 20% w...

The kinetics of the simultaneous syntheses ethyl tert-butyl ether (ETBE) and butyl (BTBE) over Amberlyst™ 35 (A35) has been studied at 315–353 K in liquid phase. Different kinetic modeling approaches—namely, empirical power-law modeling, mechanistic based on Langmuir-Hinshelwood-Hougen-Watson (LHHW) Eley-Rideal (ER) formalisms, information-based modeling—have compared. Empirical equations yield...

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...

Collisions of hyperthermal water group ions with ices are known to occur in astrophysical environments, for example, solar wind-comet interactions and moon-magnetosphere (at Saturn Jupiter), yet their effect on surface gaseous composition is little understood. Here, we report molecular dynamics simulations water-group molecules impacting water-ice surfaces using the ReaxFF reactive force fields...

A kinetic study of elemental mercury (Hg(0)) oxidation reaction over molybdenum (Mo)-promoted vanadium (V)-based selective catalytic reduction (SCR) catalyst was carried out. To probe the role HCl and O2 in Hg(0) catalyst, a real-time experiment conducted. It found that adsorption negligible adsorbed onto surface could show consistent performances presence at realistic SCR temperatures. NH3 sho...

The aim of this work is to evaluate the performance stirring 3D Fe/Al2O3 monolithic reactor in batch operation applied liquid-phase hydroxylation phenol by hydrogen peroxide (H2O2). An experimental and numerical investigation was carried out at following operating conditions: CPHENOL,0 = 0.33 M, CH2O2,0 T 75–95 °C, P 1 atm, ? 200–500 rpm WCAT ~ 1.1 g. kinetic model described consumption H2O2 a ...