Increasing demands on producing environmentally friendly products are becoming a driving force for designing highly active catalysts. Thus, surfaces that efficiently catalyse the nitrogen reduction reactions are greatly sought in moderating air-pollutant emissions. This contribution aims to computationally investigate the hydrodenitrogenation (HDN) networks of pyridine over the γ-Mo2N(111) surface using a density functional theory (DFT) approach. Various adsorption configurations have been considered for the molecularly adsorbed pyridine. Findings indicate that pyridine can be adsorbed via side-on and end-on modes in six geometries in which one adsorption site is revealed to have the lowest adsorption energy (–45.3 kcal/mol). Over a nitr

In this study; a three-dimensional model was created to simulate groundwater in Al-Haydariyah area of the governorate of Al-Najaf. A solid model was created to utilize the cross sections of 25 boreholes in the research region, and it was made out of two layers: sand and clay. The steady-state calibration was employed in six observation wells to calibrate the model and establish the hydraulic conductivity, which was 17.49 m/d for sand and 1.042 m/d for clay, with a recharge rate of 0.00007 m/day. The wells in the research region were reallocated with a distance of 1500 m between each well, resulting in 140 wells evenly distributed throughout the study area and with a discharge of 5 l/s, and the scenarios were run for 1000

The ground-state properties of exotic ¹⁸N and ²⁰F nuclei, including the neutron, proton and matter densities and related  radii are investigated using the two-body model of   within Gaussian (GS) and Woods Saxon (WS) wave functions. The long tail is evident in the computed neutron and matter densities of these nuclei. The plane wave Born approximation (PWBA) is  calculate the elastic form factors of these exotic nuclei. The variation in the proton density distributions due to the presence of the extra neutrons in ¹⁸N and ²⁰F leads to a major difference between the elastic form factors of these exotic nuclei and their stable isotopes ¹⁴N and ¹⁹F. The reaction c

In this study, manganese dioxide (MnO₂) nanoparticles (NPs) were synthesized via the hydrothermal method and utilized for the adsorption of Janus green dye (JG) from aqueous solutions. The effects of MnO₂ NPs on kinetics and diffusion were also analyzed. The synthesized NPs were characterized by scanning electron microscopy (SEM), X-ray diffraction (XRD), energy-dispersive X-ray analysis (EDX), and Fourier-transform infrared spectroscopy (FT-IR), with XRD confirming the nanoparticle size of 6.23 nm. The adsorption kinetics were investigated using three models: pseudo-first-order (PFO), pseudo-second-order (PSO), and the intraparticle diffusion model. The PSO model provided the best fit (R² = 0.999), indicating that the adsorpti

Desulfurization of a simulated diesel fuel by different adsorbents was studied in a fixed-bed adsorption process operated at ambient temperature and pressure.  Three different adsorption beds were used, commercial activated carbon, Cu-Y zeolite, and layered bed of 15wt% activated carbon followed by Cu-Y zeolite.Initially Y-zeolite was prepared from Iraqi rice husk and then impregnated with copper. In general, the adsorbents tested for total sulfur adsorption capacity at break through followed the order Ac/Cu-Y zeolite>Cu-Y zeolite>Ac. The best adsorbent, Ac/Cu-Y zeolite is capable of producing more than 30 cm3 of simulated diesel fuel per gram of adsorbent with a weighted average content of 5 ppm-S, while Cu-Y zeolite producing of

It is well known that petroleum refineries are considered the largest generator of oily sludge which may cause serious threats to the environment if disposed of without treatment. Throughout the present research, it can be said that a hybrid process including ultrasonic treatment coupled with froth floatation has been shown as a green efficient treatment of oily sludge waste from the bottom of crude oil tanks in Al-Daura refinery and able to get high yield of base oil recovery which is 65% at the optimum operating conditions (treatment time = 30 min, ultrasonic wave amplitude = 60 micron, and (solvent: oily sludge) ratio = 4). Experimental results showed that 83% of the solvent used was recovered meanwhile the main water

Schiff bases are versatile compounds synthesized from the condensation of primary amino compounds with aldehydes or ketones. The high thermal of many Schiff base and their complexes were useful attributes for their application as catalysts in reactions involving at high temperatures. This thermal behavior of Schiff bases and their complexes was evaluated by TGA/DTG and DTA curves with 10 mass losses related to dehydration and decomposition. This review summarizes the developments in the last decade for thermal analysis of Schiff bases. Therefore, synthesis of Schiff bases and their complexes are reviewe

This search study the effect of particle size of graphite on the mechanical and thermal properties of epoxy composites, where graphite adopted with particle sizes (45,53,75) ?m, respectively, and the percentages by weight (0,1,3,5,7,9)% for each size of this three particle sizes.Mechanical properties represented by the bending (three-point bending) and through which the conclusion is bending stress and modulus of elasticity, thermal properties were either through thermal conductivity tests.The results showed that the ratio(1%) is the maximum value of bending stress at the three particle size and the (45 ?m) is the maximum.Thermal conductivity result show is the maximum value at ratio (1%) of particle size(53 ?m)