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DFT Calculations and Experimental Study to Inhibit Carbon Steel Corrosion in Saline Solution by Quinoline-2-One Derivative: Carbon Steel Corrosion
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A theoretical and protection study was conducted of the corrosion behavior of carbon steel surface with different concentrations of the derivative (Quinolin-2-one), namly (1-Amino-4,7-dimethyl-6-nitro-1H-quinolin-2-one (ADNQ2O)). Theoretically, Density Functional Theory (DFT) of B3LYP/ 6-311++G (2d, 2p) level was used to calculate the optimized geometry, physical properties and chemical inhibition parameters, with the local reactivity to predict both the reactive centers and to locate the possible sites of nucleophilic and electrophilic attacks, in vacuum, and in two solvents (DMSO and H2O), all at the equilibrium geometry. Experimentally, the inhibition efficiencies (%IE) in the saline solution (of 3.5%) NaCl were studied using potentiometric polarization measurements. The results revealed that the (%IE) for carbon steel corrosion by ADNQ2O is (89.88%). The obtained thermodynamic parameters support the physical adsorption mechanism. The adsorption followed the Langmuir isotherm. The surface change on carbon steel was studied using SEM (Scanning Electron Microscopy).

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Publication Date
Thu Jan 05 2023
Journal Name
Mathematical Theory And Modeling
(Tc) Technique for Finding Optimal Solution To Transportation Problem
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Given the importance of increasing economic openness transport companies’ face various issues arising at present time, this required importing different types of goods with different means of transport. Therefore, these companies pay great attention to reducing total costs of transporting commodities by using numbers means of transport methods from their sources to the destinations. The majority of private companies do not acquire the knowledge of using operations research methods, especially transport models, through which the total costs can be reduced, resulting in the importance and need to solve such a problem. This research presents a proposed method for the sum of Total Costs (Tc) of rows and columns, in order to arrive at the init

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Publication Date
Sun Jun 05 2016
Journal Name
Baghdad Science Journal
Synthesis and Characterization of Cu(I)-Folic Acid Complex A Theoretical and Experimental Study
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Copper (I) complex containing folic acid ligand was prepared and characterized on the basis of metal analyses, UV-VIS, FTIR spectroscopies and magnetic susceptibility. The density functional theory (DFT) as molecular modeling calculations was used to determine the donor atoms of folic acid ligand which appear clearly at oxygen atoms binding to hydrogen. Detection of donation sights is supported by theoretical parameters such as geometry, mulliken population, mulliken charge and HOMO-LUMO gap obtained by DFT calculations.

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Publication Date
Fri Aug 11 2017
Journal Name
Journal Of Engineering
Thermo Elastic Analysis of Carbon Nanotube-Reinforced Composite Cylinder Utilizing Finite Element Method with the Theory of Elasticity
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Publication Date
Mon Apr 01 2019
Journal Name
Journal Of Engineering
Effect of Thickness Variable on the Bending Analysis of Rotating Functionally polymer Graded Carbon Nanotube Reinforced Cylindrical Panels
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This study offers the elastic response of the variable thickness functionally graded (FG) by single walled carbon nanotubes reinforced composite (CNTRC) moderately thick cylindrical panels under rotating and transverse mechanical loadings. It’s considered that, three kinds of distributions of carbon nanotubes which are uniaxial aligned in the longitudinal direction and two functionally graded in the transverse direction of the cylindrical panels. Depending on first order shear deformation theory (FSDT), the governing equations can be derived. The partial differential equations are solved by utilizing the technique of finite element method (FEM) with a program has been built by using FORTRAN 95. The results are calculat

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Publication Date
Wed Dec 17 2025
Journal Name
Journal Of Physics: Condensed Matter
Effects of silver oxide nanoparticles on the gas sensing properties of carbon nanotube / poly(3-hexylthiophene) composite films
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This study investigates the influence of silver oxide (Ag₂O) nanoparticles on the gas-sensing properties of carbon nanotube (CNT) and poly(3-hexylthiophene) (P3HT) composite films. The goal is to enhance the sensitivity and stability of CNT/P3HT-based gas sensors for nitrogen dioxide (NO₂) detection. CNTs and P3HT are composited at various mass ratios, followed by integrating Ag₂O nanoparticles to improve gas interaction and electronic properties. Structural and morphological analyses, including x-ray diffraction, Fourier transform infrared spectroscopy, field emission scanning electron microscopy, and energy dispersive x-ray spectroscopy, ascertain the successful incorporation of Ag₂O into the composites and reveal its role in impr

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Publication Date
Sun Nov 01 2015
Journal Name
Iosr Journal Of Dental And Medical Sciences (iosr-jdms)
A Comparative Study of a Topical Active Lotion Containing Triethyl Citrate and Ethyl Linoleate and Clindamycin Solution 1% in the Treatment of Mild to Moderate Acne Vulgaris
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DAIRMD Professor Hayder R. Al-Hamamy, **Professor Adil A. Noaimi, **Dr. Ihsan A. Al-Turfy, IOSR Journal of Dental and Medical Sciences (IOSR-JDMS), 2015

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Publication Date
Fri Jan 01 2021
Journal Name
Journal Of Engineering
Finite Element Analysis of Cracked One-Way Bubbled Slabs Strengthened By External Prestressed Strands
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Bubbled slabs can be exposed to damage or deterioration during its life. Therefore, the solution for strengthening must be provided. For the simulation of this case, the analysis of finite elements was carried out using ABAQUS 2017 software on six simply supported specimens, during which five are voided with 88 bubbles, and the other is solid. The slab specimens with symmetric boundary conditions were of dimensions 3200/570/150 mm. The solid slab and one bubbled slab are deemed references. Each of the other slabs was exposed to; (1) service charge, then unloaded (2) external prestressing and (3) loading to collapse under two line load. The external strengthening was applied using prestressed wire with four approaches, wh

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Publication Date
Fri Dec 31 2021
Journal Name
Iraqi Journal Of Market Research And Consumer Protection
TO WHAT EXTENT THE APPLICATION OF MALCOLM BALDRIGE OF THE COMPREHENSIVE QUALITY STANDARDS IN THE AFTER- SALES SERVICES/ APPLIED RESEARCH IN ONE OF THE PRIVATE SECTOR COMPANIES: TO WHAT EXTENT THE APPLICATION OF MALCOLM BALDRIGE OF THE COMPREHENSIVE QUALITY STANDARDS IN THE AFTER- SALES SERVICES/ APPLIED RESEARCH IN ONE OF THE PRIVATE SECTOR COMPANIES
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The aim of the research is to identify to what extent to which Malcolm Baldrige standards of total quality are applied in the after-sales services of a private sector company for electrical appliances, from the point of view of administrative leaders, in it. To achieve this aim a questionnaire has been used to measure the degree of application of Malcolm’s seven criteria for total quality, namely: (leadership, strategic planning, focus on the customer, measurement and analysis and knowledge management, focus in human resource and operation management and results of the company’s management), the research found that the company achieved a good level of the standard from the de

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Publication Date
Sun Mar 01 2020
Journal Name
Aci Structural Journal
Experimental and Analytical Study on Punching Shear Strength of BubbleDecks
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Publication Date
Fri May 01 2015
Journal Name
Journal Of Engineering
Numerical Analysis of Fluid Flow and Heat Transfer by Forced Convection in Channel with one-sided Semicircular Sections and Filled with Porous Media
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This research presents a numerical study to simulate the heat transfer by forced convection as a result of fluid flow inside channel’s with one-sided semicircular sections and fully filled with porous media. The study assumes that the fluid were Laminar , Steady , Incompressible and inlet Temperature was less than Isotherm temperature of a Semicircular sections .Finite difference techniques were used to present the governing equations (Momentum, Energy and Continuity). Elliptical Grid is Generated using Poisson’s equations . The Algebraic equations were solved numerically by using (LSOR (.This research studied the effect of changing the channel shapes on fluid flow and heat transfer  in two cases ,the first: cha

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