Promoting the production of industrially important aromatic chloroamines over transition-metal nitrides catalysts has emerged as a prominent theme in catalysis. This contribution provides an insight into the reduction mechanism of p-chloronitrobenzene (p-CNB) to p-chloroaniline (p-CAN) over the γ-Mo2N(111) surface by means of density functional theory calculations. The adsorption energies of various molecularly adsorbed modes of p-CNB were computed. Our findings display that, p-CNB prefers to be adsorbed over two distinct adsorption sites, namely, Mo-hollow face-centered cubic (fcc) and N-hollow hexagonal close-packed (hcp) sites with adsorption energies of −32.1 and −38.5 kcal/mol, respectively. We establish that the activation of nit

The inverse kinematic equation for a robot is very important to the control robot’s motion and position. The solving of this equation is complex for the rigid robot due to the dependency of this equation on the joint configuration and structure of robot link. In light robot arms, where the flexibility exists, the solving of this problem is more complicated than the rigid link robot because the deformation variables (elongation and bending) are present in the forward kinematic equation. The finding of an inverse kinematic equation needs to obtain the relation between the joint angles and both of the end-effector position and deformations variables. In this work, a neural network has been proposed to solve the problem of inverse kinemati

In this paper, analyzing the non-dimensional Magnesium-hydrodynamics problem Using nanoparticles in Jeffrey-Hamel flow (JHF) has been studied. The fundamental equations for this issue are reduced to a three-order ordinary differential equation. The current project investigated the effect of the angles between the plates, Reynolds number, nanoparticles volume fraction parameter, and magnetic number on the velocity distribution by using analytical technique known as a perturbation iteration scheme (PIS). The effect of these parameters is similar in the converging and diverging channels except magnetic number that it is different in the divergent channel. Furthermore, the resulting solutions with good convergence and high accuracy for the d

organic chmistry

In order to take measures in controlling soil erosion it is required to estimate soil loss over area of interest. Soil loss due to soil erosion can be estimated using predictive models such as Universal Soil Loss Equation (USLE). The accuracy of these models depends on parameters that are used in equations. One of the most important parameters in equations used in both of models is (C) factor that represents effects of vegetation and other land covers. Estimating land cover by interpretation of remote sensing imagery involves Normalized Difference Vegetation Index (NDVI), an indicator that shows vegetation cover. The aim of this study is estimate (C) factor values for Part of Baghdad city using NDVI derived from satellite Image of Landsat-7

Flexure members such as reinforced concrete (RC) simply supported beams subjected to two-point loading were analyzed numerically. The Extended Finite Element Method (XFEM) was employed for the treatment the non-smooth h behaviour such as discontinuities and singularities. This method is a powerful technique used for the analysis of the fracture process and crack propagation in concrete. Concrete is a heterogeneous material that consists of coarse aggregate, cement mortar and air voids distributed in the cement paste. Numerical modeling of concrete comprises a two-scale model, using mesoscale and macroscale numerical models. The effectiveness and validity of the Meso-Scale Approach (MSA) in modeling of the reinforced concrete beams w

The polymers modified Poly(vinyl chloride) differ in their tendency to photo oxidation comparing with that unmodified. It has been studied Photostability for modified Poly(vinyl chloride) chains using Schiff’s bases derivative of (5-amino-1, 3, 4-thiadiazole-2-thiol) in a manner casting of plastic chips with thickness (40) in a solvent Tetrahydrofuran. It has been determined the effectiveness Photostability of these modified polymers through the photo degradation rate constant for photostabilizer (kd) for the modified Poly (vinyl chloride). Attributed efficiency of these Poly(vinyl chloride) chips in Photostability by replace the atom Cl Poly(vinyl chloride) chains ends more stable than light stabilizer.

Concrete filled steel tube (CFST) columns are being popular in civil engineering due to their superior structural characteristics. This paper investigates enhancement in axial behavior of CFST columns by adding steel fibers to plain concrete that infill steel tubes. Four specimens were prepared: two square columns (100*100 mm) and two circular columns (100 mm in diameter). All columns were 60 cm in length. Plain concrete mix and concrete reinforced with steel fibers were used to infill steel tube columns. Ultimate axial load capacity, ductility and failure mode are discussed in this study. The results showed that the ultimate axial load capacity of CFST columns reinforced with steel fibers increased by 28% and 20 % for circular and square c

The aim of our study is to reveal the effect of steel reinforcement details,tensile steel reinforcement ratio, compressed reinforcing steel ratio,reinforcing steel size, corner joint shape on the strength of reinforcedconcrete Fc' and delve into it for the most accurate details and concreteconnections about the behavior and resistance of the corner joint ofreinforced concrete, Depending on the available studies and sources inaddition to our study, we concluded that each of these effects had a clearrole in the behavior and resistance of the corner joint of reinforced concreteunder the influence of the negative moment and yield stress. A studyof the types of faults that can be reinforced angle joints obtains detailsand conditions of c