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 ...

Experiments under controlled conditions show that MoCx nanoclusters supported on an inert Au(111) support are efficient catalysts for CO2 conversion, although with a prominent role of stoichiometry. In particular, C-deficient nanoparticles directly dissociate and rapidly become deactivated. On the contrary, nearly stoichiometric reversibly adsorb/desorb and, after exposure to hydrogen, converts...

of affective disorders (bipolar affective disorder, major depressive disorder and anxiety states) result from multiple genes that confer a susceptibility or liability to develop the disorder when other (environmental) risk factors are also present. In general, bipolar affective disorder has been found to have the highest heritability (i.e. the proportion of variance explained by additive geneti...