The Knoevenagel condensation of aromatic aldehydes with barbituric acid, dimedone and malononitrile occurred in the presence of BF3/nano-γ-Al2O3 at room temperature in ethanol. This catalyst is characterized by powder X-ray diffraction (XRD), fourier transform infrared spectroscopy (FT-IR), thermal gravimetric analysis (TGA), field emission scanning electron microscopy (FESEM) and energy-disper...

By including phonon-assisted transitions within plane-wave density functional theory methods for calculating the x-ray absorption spectrum (XAS), we obtain Al K-edge XAS at 300 K two crystalline Al2O3 phases. The reproduces pre-edge peak α-Al2O3, which is not visible static lattice level of approximation. Configurations from Monte Carlo sampling γ-Al2O3 phase space correctly describe out three ...

The understanding of the structure and properties γ-Al2O3 supported platinum-tin catalysts in oxidizing conditions is prominent importance for many catalytic reactions. By using density functional theory calculations ab initio molecular dynamics simulations, we identify adsorption sites oxygen atoms on a Pt10Sn3/γ-Al2O3(100) cluster model analyze its reconstruction electronic charge redistribut...

CO2 methanation has been evaluated as a means of storing intermittent renewable energy in the form of synthetic natural gas. A range of process parameters suitable for the target application (4720 h-1 to 84 000 h-1 and from 160oC to 320oC) have been investigated at 1 bar and H2/CO2 = 4 over a 10 % Ru/γ-Al2O3 catalyst. Thermodynamic equilibrium was reached at T ≈ 280oC at a GHSV of 4720 h-1. Cyc...

Nano-sized γ-Al2O3 was synthesized successfully by a simple method using Al2(SO4)3·18H2O as aluminium source and in the presence of polyethylene glycol (PEG 2000). FTIR spectroscopy, X-ray diffraction (XRD), scanning electron microscope (SEM) and transmission electron microscope (TEM) were used to characterize the structure and morphology of synthesized powder. The results showed that PEG playe...