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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
Sat Dec 01 2018
Journal Name
Journal Of Theoretical And Applied Information Technology
Matching Algorithms for Intrusion Detection System based on DNA Encoding
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Pattern matching algorithms are usually used as detecting process in intrusion detection system. The efficiency of these algorithms is affected by the performance of the intrusion detection system which reflects the requirement of a new investigation in this field. Four matching algorithms and a combined of two algorithms, for intrusion detection system based on new DNA encoding, are applied for evaluation of their achievements. These algorithms are Brute-force algorithm, Boyer-Moore algorithm, Horspool algorithm, Knuth-Morris-Pratt algorithm, and the combined of Boyer-Moore algorithm and Knuth–Morris– Pratt algorithm. The performance of the proposed approach is calculated based on the executed time, where these algorithms are applied o

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Publication Date
Sat Jan 01 2011
Journal Name
International Journal Of Computer Theory And Engineering
MIPOG - An Efficient t-Way Minimization Strategy for Combinatorial Testing
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Publication Date
Wed Feb 07 2018
Journal Name
Proceedings Of The 2018 4th International Conference On Mechatronics And Robotics Engineering
Secure Transition for Robotic Surgery With Elliptic Curve Diffie Hellman
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Publication Date
Fri Mar 31 2023
Journal Name
Iraqi Geological Journal
Glass Wastes Sorption Efficiency for Removing Cadmium from Aqueous Solutions
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This research aims to test the ability of glass waste powder to adsorb cadmium from aqueous solutions. The glass wastes were collected from the Glass Manufacturing Factory in Ramadi. The effect of concentration and reaction time on sorption was tested through a series of laboratory experiments. Four Cd concentrations (20, 40, 60, and 80) as each concentration was tested ten times for 5, 10, 15, 20, 25, 30, 35, 40, 45, and 50 min. Solid (glass wastes) to liquid was 2g to 30ml was fixed in each experiment where the total volume of the solution was 30ml. The pH, total dissolved salts and electrical conductivity were measured at 30ºC. The equilibrium concentration was determined at 25 minutes, thereafter it was noted that the sorption

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Publication Date
Sat Jan 03 2015
Journal Name
Journal Of Engineering And Development
3D Presentation for Baghdad University Buildings Using Total Station Device
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capable of the measuring with a high degree of precision in a single instrument. Total stations device are used for station setting up, setting-outmany points from one station. Their major purpose of this work is to take advantage of total station for setting up building and to establish 3D representation using AutoCAD program. The area of the study was Civil Engineering Department at Baghdad University campus AL Jadiriyah. The completion of the work is done in two stages; 1. The field work: In this stage, the Total Station Nikon Nivo-5C was selected for the current study. This device was measured horizontal and vertical distance, elevations, and coordinates from a single set up. This data directly stored on memory. 2. The office work: In t

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Publication Date
Tue Sep 30 2014
Journal Name
Iosr Journal Of Mathematics
Modification Adomian Decomposition Method for solving Seventh OrderIntegro-Differential Equations
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In this paper, a method based on modified adomian decomposition method for solving Seventh order integro-differential equations (MADM). The distinctive feature of the method is that it can be used to find the analytic solution without transformation of boundary value problems. To test the efficiency of the method presented two examples are solved by proposed method.

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Publication Date
Sun Sep 05 2010
Journal Name
Baghdad Science Journal
Volterra Runge- Kutta Methods for Solving Nonlinear Volterra Integral Equations
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In this paper Volterra Runge-Kutta methods which include: method of order two and four will be applied to general nonlinear Volterra integral equations of the second kind. Moreover we study the convergent of the algorithms of Volterra Runge-Kutta methods. Finally, programs for each method are written in MATLAB language and a comparison between the two types has been made depending on the least square errors.

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Publication Date
Wed Jan 01 2020
Journal Name
Technologies And Materials For Renewable Energy, Environment And Sustainability: Tmrees20
Effect gold nanoparticles generated by cold plasma for mineral blood
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In the present study, gold nanoparticles (AuNPs) were prepared using a simple low cost method synthesized cold plasma at different exposure time . The nanoparticles were characterized using UV-Visible spectra, X-ray diffraction (XRD). The prepared AuNPs showed surface Plasmon resonance centered at 530, 540,and 533 nm. The XRD pattern showed that the strong intense peaks indicate crystalline nature and face centered cubic structure of gold nanoparticles for all samples were prepared .The average crystallite size of the AuNPs was 20-40 nm. Morphology of the AuNPs were carried out using FESEM. Observations show that the AuNPs synthesized we well dispersed with and particle sizes ranging from 9 to 31 nm with spherical shapes which are cle

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Publication Date
Sun Oct 01 2017
Journal Name
Journal Of Engineering
Buckling Loads and Effective Length Factor for Non-Prismatic Columns
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Based on a finite element analysis using Matlab coding, eigenvalue problem has been formulated and solved for the buckling analysis of non-prismatic columns. Different numbers of elements per column length have been used to assess the rate of convergence for the model. Then the proposed model has been used to determine the critical buckling load factor () for the idealized supported columns based on the comparison of their buckling loads with the corresponding hinge supported columns . Finally in this study the critical buckling factor () under end force (P) increases by about 3.71% with the tapered ratio increment of 10% for different end supported columns and the relationship between normalized critical load and slenderness ratio was g

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Publication Date
Fri Jan 01 2021
Journal Name
International Journal Of Drug Delivery Technology
Transethosomes a novel transdermal drug delivery system for antifungal drugs
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