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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 Sep 01 2021
Journal Name
Iop Conference Series: Earth And Environmental Science
A Viscoplastic Modeling for Permanent Deformation Prediction of Rubberized and Conventional Mix Asphalt
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Publication Date
Sat May 01 2021
Journal Name
Journal Of Physics: Conference Series
Finite element analysis of seepage for Kongele earth dam Using Geo- Studio software
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Abstract<p>Seepage occurs under or inside structures or in the place, where they come into contact with the sides under the influence of pressure caused by the difference in water level in the structure U / S and D / S. This paper is designed to model seepage analysis for Kongele (an earth dam) due to its importance in providing water for agricultural projects and supporting Tourism sector. For this purpose, analysis was carried out to study seepage through the dam under various conditions. Using the finite element method by computer program (Geo-Studio) the dam was analysed in its actual design using the SEEP / W 2018 program. Several analyses were performed to study the seepage across Kongele </p> ... Show More
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Publication Date
Thu Apr 27 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
New Adaptive Satellite Image Classification Technique for Al habbinya Region West of Iraq
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   Developing a new adaptive satellite images classification technique, based on a new way of merging between regression line of best fit and new empirical conditions methods. They are supervised methods to recognize different land cover types on Al habbinya region. These methods should be stand on physical ground that represents the reflection of land surface features.      The first method has separated the arid lands and plants. Empirical thresholds of different TM combination bands; TM3, TM4, and TM5 were studied in the second method, to detect and separate water regions (shallow, bottomless, and very bottomless). The Optimum Index Factor (OIF) is computed for these combination bands, which realized

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Publication Date
Wed Jan 28 2015
Journal Name
Al-khwarizmi Engineering Journal
Thermal Field Analysis of Oblique Machining Process with Infrared Image for AA6063-T6
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Abstract

 Metal cutting processes still represent the largest class of manufacturing operations. Turning is the most commonly employed material removal process. This research focuses on analysis of the thermal field of the oblique machining process. Finite element method (FEM) software DEFORM 3D V10.2 was used together with experimental work carried out using infrared image equipment, which include both hardware and software simulations. The thermal experiments are conducted with AA6063-T6, using different tool obliquity, cutting speeds and feed rates. The results show that the temperature relatively decreased when tool obliquity increases at different cutting speeds and feed rates, also it

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Publication Date
Sun Oct 30 2022
Journal Name
Iraqi Journal Of Science
Some Applications of Quasi-Subordination for Bi-Univalent Functions Using Jackson’s Convolution Operator
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     In this paper, subclasses of  the function class  ∑  of analytic and bi-univalent functions associated with operator  L_q^(k,  λ)  are introduced and defined in the open unit disk △ by applying quasi-subordination. We obtain some results about the corresponding bound estimations of the coefficients  a_(2 )  and a_(3 ).

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Publication Date
Wed Mar 25 2020
Journal Name
International Journal Of Drug Delivery Technology
Study of Molecular Interaction for Antibiotic Drug with Sugar Solutions at Different Temperature
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The interactions of drug amoxicillin with maltose or galactose solutions with a variation of temperature have been discussed by taking in the volumetric and viscometric procedures. Physical properties [densities (ρ) and viscosities (η)] of amoxicillin (AMOX) aqueous solutions and aqueous solutions of two type saccharides (maltose and galactose 0.05m) have been measured at T = (298.15, 303.15 and 308.15) K under atmospheric pressure. The apparent molar volume (ϕv cm3mole-1) has been evaluated from density data and fitted to a Redlich-Mayer equation. The empirical parameters of the Mayer-Redlich equation and apparent molar volume at infinite dilution Ø°v were explicated in terms of interactions from type solute-solvent and solute

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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
Sun May 26 2019
Journal Name
Iraqi Journal Of Science
Bayesian Estimation for Two Parameters of Gamma Distribution under Generalized Weighted Loss Function
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This paper deals with, Bayesian estimation of the parameters of Gamma distribution under Generalized Weighted loss function, based on Gamma and Exponential priors for the shape and scale parameters, respectively. Moment, Maximum likelihood estimators and Lindley’s approximation have been used effectively in Bayesian estimation. Based on Monte Carlo simulation method, those estimators are compared in terms of the mean squared errors (MSE’s).

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Publication Date
Fri Jan 01 2016
Journal Name
Ieee Access
Towards an Applicability of Current Network Forensics for Cloud Networks: A SWOT Analysis
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In recent years, the migration of the computational workload to computational clouds has attracted intruders to target and exploit cloud networks internally and externally. The investigation of such hazardous network attacks in the cloud network requires comprehensive network forensics methods (NFM) to identify the source of the attack. However, cloud computing lacks NFM to identify the network attacks that affect various cloud resources by disseminating through cloud networks. In this paper, the study is motivated by the need to find the applicability of current (C-NFMs) for cloud networks of the cloud computing. The applicability is evaluated based on strengths, weaknesses, opportunities, and threats (SWOT) to outlook the cloud network. T

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Publication Date
Fri Jan 01 2016
Journal Name
Journal Of Engineering
Application of SWAT Model for Sediment Loads from Valleys Transmitted to Haditha Reservoir
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This study included the extraction properties of spatial and morphological basins studied using the Soil and Water Assessment Tool (SWAT) model linked to (GIS) to find the amount of sediment and rates of flow that flows into the Haditha reservoir . The aim of this study is determine the amount of sediment coming from the valleys and flowing into the Haditha Dam reservoir for 25 years ago for the period (1985-2010) and its impact on design lifetime of the Haditha Dam reservoir and to determine the best ways to reduce the sediment transport. The result indicated that total amount of sediment coming from all valleys about (2.56 * 106 ton). The maximum annual total sediment load was about (488.22 * 103 ton) in year 1988

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