Influence of Calcination Temperature and Operational Parameters on Fe-ZSM-5 Catalyst performance in Sonocatalytic Degradation of Phenol from wastewater

Nowadays, not only the lack of water sources but also water pollution by industrial wastewater has become a major challenge. One of the pollutants of water resources, which threatens water resources, is phenol that enters the environment through wastewater from various industries such as petrochemicals, refineries, pharmaceuticals, etc. This compound, due to its toxicity, high stability and solubility in water caused many problems and it is very important to remove it from industrial wastewater. Therefore, the main purpose of this study is to remove phenol from wastewater by using catalytic oxidation. Fe-ZSM-5 catalyst was synthesized by precipitation method and its characteristics were determined by XRD, FTIR, SEM and BET analyses. The results of XRD analysis showed that the iron ions are in the MFI structure and the catalyst has a good crystallinity phase, so that it retains its MFI structure. BET analysis showed the specific surface area of the synthesized catalyst is 293g/m2. The catalytic activity of Fe-ZSM-5 was investigated in degradation of phenol and the results showed that the mentioned catalyst had the highest removal percentage (85.82%) in 90 min at pH = 4.25 and T= 70 °C. The effect of various parameters such as ultraviolet radiation, initial pollutant concentration, catalyst loading and H2O2 concentration on the catalytic activity were also investigated

Molecular dynamics simulation and thermo-mechanical characterization for optimization of three-phase epoxy/TiO2/SiO2 nano-composites

In this research, experimental and theoretical method are used to improve and optimized the thermo-mechanical properties of hybrid Epoxy/TiO2/SiO2 nano-Composites. For investigation of the influence of weight percentage of Silica toward Titana in TiO2–SiO2 hybrid nanoparticles on tensile properties of epoxy, the composite was optimized by surface methodology. Thirteen experiments were designed by using design expert commercial software totally. The TiO2–SiO2 hybrid nanoparticles were synthesized by sol-gel method. Then, epoxy/TiO2–SiO2 nanocomposites were prepared by direct mixing method. Four factors as elongation at break (EAB), yield strength (σy), ultimate strength (σu) and elastic modulus (E) were investigated by using tensile test device. The optimization results showed that the best (EAB), (σy), (σu) and (E) outcomes are 29.3, 17.72, 17.43 and 4.34% respectively with 14.64% weight percent of Silica in total amount of TiO2–SiO2 0.73% hybrid nanoparticles. In order to investigate the chemical and thermo-mechanical properties of nanocomposite as tensile tests, TGA, XRD, FT-IR, SEM, EDX and DRS analysis were performed. In addition, due to the high reliability in predicting the reaction among different materials and comparing with the results of experimental work, which is based on polymer-nanoparticle interaction energy, molecular dynamics simulation (MD) were used. The simulations were performed by using materials studio (MS) software. The numerical and analytical results show that the presence of small amount of Silica beside Titanium creates a strong interaction between fillers and epoxy resin