In this work, some of new 2-benzylidenehydrazinecarbothioamide derivatives have been prepared by condensation of thiosemicarbazide and different substituted aromatic benzaldehydes in presence of glacial acetic acid to give compounds (1-6), these compounds have characterized by its physical properties and spectroscopic methods. This work also included theoretical study to prove the ability of these compounds as corrosion inhibitors; The program package of Gaussian 09W with its graphical user interface GaussView 5.0 had used for this purpose; the methods of Density Functional Theory (DFT) with basis set of 6-311G (d,p) / hybrid function of B3LYP and semiempirical method of PM3 have been used, the study included theoretical simulation to simulate the reactivity of these compounds as corrosion inhibitors for carbon steel in gas phase, aqueous medium and in acidic medium (acidic medium is a medium contains acid that able to protonate these compounds and change them to protonated form), some parameters have calculated in both previous methods such EHOMO, ELUMO, ΔEL-H, Ionization Potential (I), Electron Affinity (A), electronegativity (χ), Global Hardness (η), Atomic Charges, Dipole Moment (μ) and Fraction of Electron Transferred from Inhibitor Molecules to the Metallic Atoms (ΔN), the resulted parameters showed that these compounds are behaving as inhibitors for corrosion of carbon steel.
This researchpaper includes the incorporation of Alliin at various energy levels and angles
With Metformin using Gaussian 09 and Gaussian view 06. Two computers were used in this work. Samples were generated to draw, integrate, simulate and measure the value of the potential energy surface by means of which the lowest energy value was (-1227.408au). The best correlation compound was achieved between Alliin and Metformin through the low energy values where the best place for metformin to b
... Show MoreThe Geological modeling has been constructed by using Petrel E&P software to incorporate data, for improved Three-dimensional models of porosity model, water saturation, permeability estimated from core data, well log interpretation, and fault analysis modeling.
Three-dimensional geological models attributed with physical properties constructed from primary geological data. The reservoir contains a huge hydrocarbon accumulation, a unique geological model characterization with faults, high heterogeneity, and a very complex field in nature.
The results of this study show that the Three-dimensional geological model of Khasib reservoir, to build the reservoir model starting with evaluation of reservoir to interpretation o
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This paper aims to validate a proposed finite element model to be adopted in predicting displacement and soil stresses of a piled-raft foundation. The proposed model adopts the solid element to simulate the raft, piles, and soil mass. An explicit integration scheme has been used to simulate nonlinear static aspects of the piled-raft foundation and to avoid the computational difficulties associated with the implicit finite element analysis.
The validation process is based on comparing the results of the proposed finite element model with those of a scaled-down experimental work achieved by other researchers. Centrifuge apparatus has been used in the experimental work to generate the required stresses to simulate t
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In this paper, the method of estimating the variation of Zenith Path Delay (ZPD) estimation method will be illustrate and evaluate using Real Time Kinematic Differential Global Positioning System (RTK-DGPS). The GPS provides a relative method to remotely sense atmospheric water vapor in any weather condition. The GPS signal delay in the atmosphere can be expressed as ZPD. In order to evaluate the results, four points had been chosen in the university of Baghdad campus to be rover ones, with a fixed Base point. For each rover position a 155 day of coordinates measurements was collected to overcome the results. Many models and mathematic calculations were used to extract the ZPD using the Matlab environment. The result shows that the ZPD valu
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The research include a pulsed Nd: YAG Laser with (300µs) pulse duration in the TEM00 mode at (1.06µm) wavelength for energies between (0.5-3) J was employed to drill Brass material which is use in industrial applications. The process of drill was assisted by an electric field. This resulted in an increase in the hole aspect ratio by the value (45%) and decrease in the hole taper by the value (25%) of its value under ordinary drilling conditions using the same input energy.
Thin films of In2O3-CdO at various CdO contents (0.01, 0.02, 0.03, 0.04 and 0.05) were deposited on transparent substrate which is glass using chemical spray pyrolysis deposition method at substrate temperature 150oC. The structural properties was studied to characterize the prepared materials by XRD analysis. Surface morphology has been illustrated using scanning electron microscopy which proved the nanosize of prepared materials. This materials have been used as gas sensor for toxic gas which is hydrogen sulfide H2S. The sensitivity and response speed have been investigated with addition of CdO nanoparticles. © 2021, S.C. Virtual Company of Phisics S.R.L. All rights reserved.
Response of cross-ply plates subjected to transient load is obtained using five variables refined plate theory, and four variables plate theory. Equations of motion are derived through the principleof virtual work. Navier series used for simply supported laminated plates. The results of this work are presented for different parameters, such as the ply number, thickness, and modulus ratio with mechanical load (sinusoidal and step pulses), which are compared with those obtained using high-order shear plate theory. Five variables of refined plate theory give results that are considerably different from the four variables of refined plate theory and higher-order theory. The obtained results from the four variables theory have the same behavior
... Show MoreBasrah is the richest town and the economic capital of Iraq. It suffers from lack of drinking water. This project is a dream to supply drinking water to Basrah citizens within WHO standards. Water should pass sedimentation and filtration stages before interring reverse osmosis unit. The design is carried out using lewaplus2 software. Several parameters should be selected in the design step membrane type, number of stages, number per element in each stage, and the recovery percentage. An optimization is carried out using Minitab ver. 18 for the acceptable limit of TDS and minimum cost and it was found that the optimum conditions were 52% for first stage, the numbers of vessels are 20 for both the first and second stage. In addition,
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