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Exploring the Potential of Quantum Chemical Calculations for Synthesized Quinazoline Derivatives as Superior Corrosion Inhibitors in Acidic Environment
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Hydrochloric acid (HCl) is a substance that is frequently utilized in industrial operations for important tasks such as chemical cleaning and pickling metallic surfaces.Therefore, the corrosion inhibition ability of three newly synthesized quinazoline derivatives namely, 3-allyl-2-(propylthio) quinazolin-4(3H)-one) (APQ), (3-allyl-2-(allylthio) quinazolin-4(3H)-one) (AAQ), (3-allyl- 2-( Prop -2-yn -1-ylthio) Quinazolin - 4 (3H) - one) (AYQ) were theoretically determined and these compounds were characterized using Fourier Transform Infra-Red (FTIR) and 1H and 13C Nuclear Magnetic Resonance (NMR) spectroscopic. A series of quantum chemical properties of these derivatives: EHOMO, ELUMO, energy gap (ΔE),dipole moment (μ), hardness (η), softness (Ϭ), absolute electronegativity (χ), fractions for electron transferred (ΔN), the ionization potential (I), (TE) and total energy were calculated. The obtained results of all quinazoline derivatives (APQ,AAQ,andAYQ) show almost the same corrosion inhibition with excellent efficiency. Density function theory (DFT) was used to investigate the relationship between the molecular structures and inhibitory efficacies of three quinazoline derivatives. The results of the analysis and measurement of Egap values revealed that the compound AYQ had a modest Egap of 4.999 eV and that strong values of Egap suggest that it will be easier to remove one electron from the HOMO orbital and deposit it in the LUMO orbital

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Publication Date
Wed Jul 31 2024
Journal Name
Iraqi Geological Journal
Correlating Capillary Pressure and Resistivity Index for Carbonate Reservoir
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Capillary pressure is a significant parameter in characterizing and modeling petroleum reservoirs. However, costly laboratory measurements may not be sufficiently available in some cases. The problem amplifies for carbonate reservoirs because relatively enormous capillary pressure curves are required for reservoir study due to heterogeneity. In this work, the laboratory measurements of capillary pressure and formation resistivity index were correlated as both parameters are functions of saturation. Forty-one core samples from an Iraqi carbonate reservoir were used to develop the correlation according to the hydraulic flow units concept. Flow zone indicator (FZI) and Pore Geometry and Structure (PGS) approaches were used to identify

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Publication Date
Fri Mar 31 2017
Journal Name
Journal Of Engineering
Rotating Ceramic Water Filter Discs System for Water Filtration
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This work aimed to design, construct and operate a new laboratory scale water filtration system. This system was used to examine the efficiency of two ceramic filter discs as a medium for water filtration. These filters were made from two different ceramic mixtures of local red clay, sawdust, and water.  The filtration system was designed with two rotating interfered modules of these filters.  Rotating these modules generates shear force between water and the surfaces of filter discs of the filtration modules that works to reduce thickness of layer of rejected materials on the filters surfaces. Each module consists of seven filtration units and each unit consists of two ceramic filter discs.    The average measured hy

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Publication Date
Sun Jul 09 2023
Journal Name
Journal Of Engineering
1-DOF Model for Fluid-Structure-Interaction Vibration Analysis
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In this paper an attempt to provide a single degree of freedom lumped model for fluid structure interaction (FSI) dynamical analysis will be presented. The model can be used to clarify some important concept in the FSI dynamics such as the added mass, added stiffness, added damping, wave coupling ,influence mass coefficient and critical fluid depth . The numerical results of the model show that the natural frequency decrease with the increasing of many parameters related to the structure and the fluid .It is found that the interaction phenomena can become weak or strong depending on the depth of the containing fluid .The damped and un damped free response are plotted in time domain and phase plane for different model parameters It is fou

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Publication Date
Sun Jun 01 2014
Journal Name
University Of Baghdad
New Analytical Methods for Drugs Analysis A Comparative Study
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Four different spectrophotometric methods are used in this study for the determination of Sulfamethoxazole and sulfanilamide drugs in pharmaceutical compounds, synthetic samples, and in their pure forms. The work comprises four chapters which are shown in the following: Chapter One: Includes a brief for Ultraviolet-Visible (UV-VIS) Absorption spectroscopy, antibacterial drugs and sulfonamides with some methods for their determination. The chapter lists two methods for optimization; univariate method and multivariate method. The later includes different types, two of these were mentioned; simplex method and design of experiment method. Chapter Two: Includes reaction of the two studied drugs with sodium nitrite and hydrochloric acid for diazo

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Publication Date
Sat Mar 01 2025
Journal Name
Al-khwarizmi Engineering Journal
Deep-Learning-Based Mobile Application for Detecting COVID-19
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Patients infected with the COVID-19 virus develop severe pneumonia, which typically results in death. Radiological data show that the disease involves interstitial lung involvement, lung opacities, bilateral ground-glass opacities, and patchy opacities. This study aimed to improve COVID-19 diagnosis via radiological chest X-ray (CXR) image analysis, making a substantial contribution to the development of a mobile application that efficiently identifies COVID-19, saving medical professionals time and resources. It also allows for timely preventative interventions by using more than 18000 CXR lung images and the MobileNetV2 convolutional neural network (CNN) architecture. The MobileNetV2 deep-learning model performances were evaluated

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Publication Date
Tue Jan 01 2008
Journal Name
2008 15th Asia-pacific Software Engineering Conference
G2Way A Backtracking Strategy for Pairwise Test Data Generation
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Publication Date
Sat Aug 01 2015
Journal Name
International Journal Of Advanced Research In Computer Science And Software Engineering
Partial Encryption for Colored Images Based on Face Detection
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Publication Date
Tue Mar 10 2020
Journal Name
Journal Of Inverse And Ill-posed Problems
Direct and inverse source problems for degenerate parabolic equations
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Abstract<p>Degenerate parabolic partial differential equations (PDEs) with vanishing or unbounded leading coefficient make the PDE non-uniformly parabolic, and new theories need to be developed in the context of practical applications of such rather unstudied mathematical models arising in porous media, population dynamics, financial mathematics, etc. With this new challenge in mind, this paper considers investigating newly formulated direct and inverse problems associated with non-uniform parabolic PDEs where the leading space- and time-dependent coefficient is allowed to vanish on a non-empty, but zero measure, kernel set. In the context of inverse analysis, we consider the linear but ill-pose</p> ... Show More
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Publication Date
Sun Oct 15 2023
Journal Name
Journal Of Yarmouk
Artificial Intelligence Techniques for Colon Cancer Detection: A Review
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Publication Date
Wed Jul 01 2015
Journal Name
Journal Of Engineering
Block-Iterative Frequency-Domain Equalizations for SC-IDMA Systems
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In wireless broadband communications using single-carrier interleave division multiple access (SC-IDMA) systems, efficient multiuser detection (MUD) classes that make use of joint hybrid decision feedback equalization (HDFE)/ frequency decision-feedback equalization (FDFE) and interference cancellation (IC) techniques, are proposed in conjunction with channel coding to deal with several users accessing the multipath fading channels. In FDFE-IDMA, the feedforward (FF) and feedback (FB) filtering operations of FDFE, which use to remove intersymbol interference (ISI), are implemented by Fast Fourier Transforms (FFTs), while in HDFE-IDMA the only FF filter is implemented by FFTs. Further, the parameters involved in the FDFE/

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