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HOMO-LUMO Energies and Geometrical Structures Effecton Corrosion Inhibition for Organic Compounds Predict by DFT and PM3 Methods
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A theoretical study on corrosion inhibitors was done by quantum calculations includes semi-empirical PM3 and Density Functional Theory (DFT) methods based on B3LYP/6311++G (2d,2P). Benzimidazole derivative (oxo(4- ((phenylcarbamothioyl) carbamoyl)phenyl) ammonio) oxonium (4NBP) and thiourea derivative 2-((4- bromobenzyl)thio) -1H-benzo[d] imidazole (2SB) were used as corrosion inhibitors and an essential quantum chemical parameters correlated with inhibition efficiency, EHOMO (highest occupied molecular orbital energy) and ELUMO (lowest molecular orbital energy). Other parameters are also studied like energy gap [ΔE (HOMO-LUMO)], electron affinity (EA), hardness (Δ), dipole moment (μ), softness (S), ionization potential (IE), absolute electron negativity (χ), and global electrophilicity index (ω) respectively. Mulliken population was also essential to determine a local reactivity by indicating reactive centers and identifyinga potential nucleophilic and electrophilic attacks sites. The adsorption of compounds is also discussedwith the bonds length, the angles, and tetrahedral of molecules. The 2SB best from 4NBP as corrosion inhibitors according to theoretical and experimental proving.Predicated.

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Publication Date
Thu Feb 01 2018
Journal Name
Journal Of Computational And Theoretical Nanoscience
Development of Wireless Controlling and Monitoring System for Robotic Hand Using Zigbee Protocol
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Nowadays, the robotic arm is fast becoming the most popular robotic form used in the industry among others. Therefore, the issues regarding remote monitoring and controlling system are very important, which measures different environmental parameters at a distance away from the room and sets various condition for a desired environment through a wireless communication system operated from a central room. Thus, it is crucial to create a programming system which can control the movement of each part of the industrial robot in order to ensure it functions properly. EDARM ED-7100 is one of the simplest models of the robotic arm, which has a manual controller to control the movement of the robotic arm. In order to improve this control s

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Publication Date
Fri Aug 28 2020
Journal Name
Tropical Journal Of Natural Product Research
Red Cell Distribution Width and Neutrophil-Lymphocyte Ratio as Markers for Diabetic Nephropathy
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Diabetic nephropathy (DN) is the foremost cause of end-stage renal disease. Early detection of DN can spare diabetic patients of severe complications. This study aimed to evaluate the diagnostic value of red cell distribution width (RDW) and neutrophil-lymphocyte ratio (NLR) in the detection of DN in patients with type 2 diabetes mellitus (T2DM). This cross-sectional study included a total of 130 patients with T2DM, already diagnosed with T2DM. The albumin creatinine ratio (ACR) in urine samples was calculated for each patient, according to which patients were divided into two groups: with evidence of DN when ACR ? 30 mg/g, and those with no evidence of DN when ACR < 30 mg/g. According to multivariate analysis, each of disease duration (OR

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Publication Date
Tue Sep 11 2018
Journal Name
Iraqi Journal Of Physics
Electrical glow discharges and plasma parameter of planar sputtering system for silver target
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DC planar sputtering system is characterized by varying discharge potential of (250-2000 volt) and Argon gas pressures of (3.5×10-2 – 1.5) mbar. The breakdown voltage for silver electrode was studied with a uniform electric field at different discharge distances, as well as plasma parameters. The breakdown voltage is a product of the Argon gas pressure inside the chamber and gab distance between the electrodes, represent as Paschen curve. The Current-voltage characteristics curves indicate that the electrical discharge plasma is working in the abnormal glow region. Plasma parameters were found from the current-voltage characteristics of a single probe positioned at the inter-cathode space. Typical values of the electron temperature an

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Publication Date
Tue Jan 01 2019
Journal Name
Aip Conference Proceedings
Fabricating and study effect of the concentrations electrolyte for an alkaline electrolysis cell
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Publication Date
Thu Dec 31 2015
Journal Name
Al-khwarizmi Engineering Journal
Experimental Study and Numerical Simulation of Sheet Hydroforming Process for Aluminum Alloy AA5652
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 Abstract   

Lightweight materials is used in the sheet metal hydroforming process,  because it can be adapted to the manufacturing of complex structural components into a single body with high structural stiffness. Sheet hydroforming has been successfully developed in industry such as in the manufacturing of the components of automotive.The aim of this study is to simulate the experimental results ( such as the amount of pressure required to hydroforming process, stresses, and strains distribution)  with results  of finite element analyses (FEA)  (ANSYS 11)  for aluminum alloy (AA5652) sheets with  thickness (1.2mm) before heat treatm

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Publication Date
Mon Jun 19 2023
Journal Name
Journal Of Polymer Research
Design, and synthesis of a plasticizer- Schiff’s bases complexes as additive for polystyrene
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This work involved the successful synthesis of three new Schiff base complexes, including Ni(II), Mn(II), and Cu(II) complexes. The Schiff base ligand was created by reacting the malonyldihydrazide molecule with naphthaldehyde, and the final step involved reacting the ligand with the corresponding metallic chloride yielding pure target complexes. FTIR, 1 H NMR, 13 C NMR, mass, and UV/Vis spectroscopies were used to comprehensively characterize the produced complexes. These substances have been employed in this study to photo-stabilize polystyrene (PS) and lessen the photo-degradation of its polymeric chains. Several methods, including FTIR, weight loss, viscosity average molecular weight, light and atomic force microscopy, and energy disper

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Publication Date
Fri Jan 01 2021
Journal Name
Journal Of Intelligent Systems
Void-hole aware and reliable data forwarding strategy for underwater wireless sensor networks
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Abstract<p>Reliable data transfer and energy efficiency are the essential considerations for network performance in resource-constrained underwater environments. One of the efficient approaches for data routing in underwater wireless sensor networks (UWSNs) is clustering, in which the data packets are transferred from sensor nodes to the cluster head (CH). Data packets are then forwarded to a sink node in a single or multiple hops manners, which can possibly increase energy depletion of the CH as compared to other nodes. While several mechanisms have been proposed for cluster formation and CH selection to ensure efficient delivery of data packets, less attention has been given to massive data co</p> ... Show More
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Publication Date
Sun Feb 25 2024
Journal Name
Baghdad Science Journal
Natural Language Processing For Requirement Elicitation In University Using Kmeans And Meanshift Algorithm
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 Data Driven Requirement Engineering (DDRE) represents a vision for a shift from the static traditional methods of doing requirements engineering to dynamic data-driven user-centered methods. Data available and the increasingly complex requirements of system software whose functions can adapt to changing needs to gain the trust of its users, an approach is needed in a continuous software engineering process. This need drives the emergence of new challenges in the discipline of requirements engineering to meet the required changes. The problem in this study was the method in data discrepancies which resulted in the needs elicitation process being hampered and in the end software development found discrepancies and could not meet the need

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Publication Date
Wed Jan 15 2020
Journal Name
Emerging Trends In Mechatronics
Interactional Modeling and Optimized PD Impedance Control Design for Robust Safe Fingertip Grasping
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Publication Date
Wed Apr 01 2015
Journal Name
Journal Of Educational And Psychological Researches
Standards and quality controls for information technology applications to serve the Holy Quran
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the research goal is preparing a list of standard criteria and quality controls for information technology applications to serve the Holy Quran.

To achieve this goal, the researcher has built a list of criteria according to the following steps:

First - identify the key areas covered by the whole list which are:

1 – Standards of system building and implementing with the operating screens.

2 – Standards of display forms including audio and video presentation.

3 – Standards which are related to the program philosophy.

4 - Standards which are related to the program objectives.

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