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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
Sun Jan 01 2023
Journal Name
Journal Of The Mechanical Behavior Of Materials
Simulation and assessment of water supply network for specified districts at Najaf Governorate
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Abstract<p>This study aims to simulate and assess the hydraulic characteristics and residual chlorine in the water supply network of a selected area in Al-Najaf City using WaterGEMS software. Field and laboratory work were conducted to measure the pressure heads and velocities, and water was sampled from different sites in the network and then tested to estimate chlorine residual. Records and field measurements were utilized to validate WaterGEMS software. Good agreement was obtained between the observed and predicted values of pressure with RMSE range between 0.09–0.17 and 0.08–0.09 for chlorine residual. The results of the analysis of water distribution systems (WDS) during maximum demand </p> ... Show More
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Publication Date
Thu Sep 10 2020
Journal Name
Diyala Journal Of Engineering Sciences
Finite Element Analysis of Seepage for Hemrin Earth Dam Using Geo-Studio Software
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Finite Element Approach is employed in this research work to solve the governing differential equations related to seepage via its foundation's dam structure. The primary focus for this reason is the discretization of domain into finite elements through the placement of imaginary nodal points and the discretization of governing equations into an equation system; An equation for each nodal point or part, and unknown variables are solved. The SEEP / W software (program) is a sub-program of the Geo-Studio software, which is used by porous soil media to compensate for the problems of seepage. To achieve the research goals, a study was carried out on Hemrin dam, which located in the Diyala River 100 km northeast of Baghdad, Iraq. Thus, o

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Publication Date
Thu Dec 01 2022
Journal Name
Bulletin Of Electrical Engineering And Informatics
A model for incorporating suitable methods of usability evaluation into agile software development
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The challenge to incorporate usability evaluation values and practices into agile development process is not only persisting but also systemic. Notable contributions of researchers have attempted to isolate and close the gaps between both fields, with the aim of developing usable software. Due to the current absence of a reference model that specifies where and how usability activities need to be considered in the agile development process. This paper proposes a model for identifying appropriate usability evaluation methods alongside the agile development process. By using this model, the development team can apply usability evaluations at the right time at the right place to get the necessary feedback from the end-user. Verificatio

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Publication Date
Sun Apr 08 2018
Journal Name
Al-khwarizmi Engineering Journal
Inverse Kinematics Solution for Redundant Robot Manipulator using Combination of GA and NN
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A demonstration of the inverse kinematics is a very complex problem for redundant robot manipulator. This paper presents the solution of inverse kinematics for one of redundant robots manipulator (three link robot) by combing of two intelligent algorithms GA (Genetic Algorithm) and NN (Neural Network). The inputs are position and orientation of three link robot. These inputs are entering to Back Propagation Neural Network (BPNN). The weights of BPNN are optimized using continuous GA. The (Mean Square Error) MSE is also computed between the estimated and desired outputs of joint angles. In this paper, the fitness function in GA is proposed. The sinwave and circular for three link robot end effecter and desired trajectories are simulated b

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Publication Date
Wed Nov 01 2017
Journal Name
Journal Of Economics And Administrative Sciences
Estimate missing value by use analyses of covariance method for split block-design
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The research aims to estimate missing values using covariance analysis method Coons way to the variable response or dependent variable that represents the main character studied in a type of multi-factor designs experiments called split block-design (SBED) so as to increase the accuracy of the analysis results and the accuracy of statistical tests based on this type of designs. as it was noted in the theoretical aspect to the design of dissident sectors and statistical analysis have to analyze the variation in the experience of experiment )SBED) and the use of covariance way coons analysis according to two methods to estimate the missing value, either in the practical side of it has been implemented field experiment wheat crop in

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Publication Date
Fri Dec 30 2022
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Artificial Intelligent Models for Detection and Prediction of Lost Circulation Events: A Review
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Lost circulation or losses in drilling fluid is one of the most important problems in the oil and gas industry, and it appeared at the beginning of this industry, which caused many problems during the drilling process, which may lead to closing the well and stopping the drilling process. The drilling muds are relatively expensive, especially the muds that contain oil-based mud or that contain special additives, so it is not economically beneficial to waste and lose these muds. The treatment of drilling fluid losses is also somewhat expensive as a result of the wasted time that it caused, as well as the high cost of materials used in the treatment such as heavy materials, cement, and others. The best way to deal with drilling fluid losses

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Publication Date
Mon Sep 04 2023
Journal Name
2023 International Conference On Advanced Mechatronic Systems (icamechs)
Performance Analysis of Finite-Time Generalized Proportional Integral Observer for Uncertain Brunovsky Systems
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This paper proposes a novel finite-time generalized proportional integral observer (FTGPIO) based a sliding mode control (SMC) scheme for the tracking control problem of high order uncertain systems subject to fast time-varying disturbances. For this purpose, the construction of the controller consists of two consecutive steps. First, the novel FTGPIO is designed to observe unmeasurable plant dynamics states and disturbance with its higher time derivatives in finite time rather than infinite time as in the standard GPIO. In the FTGPO estimator, the finite time convergence rate of estimations is well achieved, whereas the convergence rate of estimations by classical GPIO is asymptotic and slow. Secondly, on the basis of the finite and fast e

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Publication Date
Wed Mar 01 2023
Journal Name
Baghdad Science Journal
An Investigation of Corona Domination Number for Some Special Graphs and Jahangir Graph
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In this work,  the study of corona domination in graphs is carried over which was initially proposed by G. Mahadevan et al. Let be a simple graph. A dominating set S of a graph is said to be a corona-dominating set if every vertex in is either a pendant vertex or a support vertex. The minimum cardinality among all corona-dominating sets is called the corona-domination number and is denoted by (i.e) . In this work, the exact value of the corona domination number for some specific types of graphs are given. Also, some results on the corona domination number for some classes of graphs are obtained and the method used in this paper is a well-known number theory concept with some modification this method can also be applied to obt

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Publication Date
Sun Apr 22 2018
Journal Name
Acs Biomaterials Science &amp; Engineering
Engineered coatings for titanium implants to present ultra-low doses of BMP-7
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The ongoing research to improve the clinical outcome of titanium implants has resulted in the implementation of multiple approaches to deliver osteogenic growth factors accelerating and sustaining osseointegration. Here we show the presentation of human bone morphogenetic protein 7 (BMP-7) adsorbed to titanium discs coated with poly(ethyl acrylate) (PEA). We have previously shown that PEA promotes fibronectin organization into nanonetworks exposing integrin- and growth-factor-binding domains, allowing a synergistic interaction at the integrin/growth factor receptor level. Here, titanium discs were coated with PEA and fibronectin and then decorated with ng/mL doses of BMP-7. Human mesenchymal stem cells were used to investigate cellular resp

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Publication Date
Mon Nov 15 2021
Journal Name
2021 Third International Sustainability And Resilience Conference: Climate Change
Biodiversity and occurrence of plant viruses over four decades: Case study for Iraq
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