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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 Aug 30 2023
Journal Name
Iraqi Journal Of Science
New Approach for Calculate Exponential Integral Function
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     This manuscript presents a new approach to accurately calculating exponential integral function that arises in many applications such as contamination, groundwater flow, hydrological problems and mathematical physics. The calculation is obtained with easily computed components without any restrictive assumptions

     A detailed comparison of the execution times is performed. The calculated results by the suggested approach are better and faster accuracy convergence than those calculated by other methods. Error analysis of the calculations is studied using the absolute error and high convergence is achieved. The suggested approach out-performs all previous methods  used to calculate this function and this decision is

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Publication Date
Sat Dec 01 2012
Journal Name
Journal Of Engineering
Database for Baghdad Soil Using GIS Techniques
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teen sites Baghdad are made. The sites are divided into two groups, one in Karkh and the other in Rusafa. Assessing the underground conditions can be occurred by drilling vertical holes called exploratory boring into the ground, obtaining soil (disturbed and undisturbed) samples, and testing these samples in a laboratory (civil engineering laboratory /University of Baghdad). From disturbed, the tests involved the grain size analysis and then classified the soil, Atterberg limit, chemical test (organic content, sulphate content, gypsum content and chloride content). From undisturbed samples, the test involved the consolidation test (from this test, the following parameters can be obtained: initial void ratio eo, compression index cc, swel

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Publication Date
Thu Jun 30 2022
Journal Name
Iraqi Journal Of Science
Brain MR Images Classification for Alzheimer’s Disease
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    Alzheimer’s Disease (AD) is the most prevailing type of dementia. The prevalence of AD is estimated to be around 5% after 65 years old and is staggering 30% for more than 85 years old in developed countries. AD destroys brain cells causing people to lose their memory, mental functions and ability to continue daily activities. The findings of this study are likely to aid specialists in their decision-making process by using patients’ Magnetic Resonance Imaging (MRI) to distinguish patients with AD from Normal Control (NC). Performance evolution was applied to 346 Magnetic Resonance images from the Alzheimer's Neuroimaging Initiative (ADNI) collection. The Deep Belief Network (DBN) classifier was used to fulfill classification f

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Publication Date
Sun Jan 01 2023
Journal Name
Journal Of Ovonic Research
Manufacturing Br:CO3O4 /Si Heterojunction For Photodetector Applications
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This research including, CO3O4 was prepared by the chemical spry pyrolysis, deposited film acceptable to assess film properties and applications as photodetector devise, studying the optical and optoelectronics properties of Cobalt Oxide and effect of different doping ratios with Br (2, 5, 8)%. the optical energy gap for direct transition were evaluated and it decreases as the percentage Br increase, Hall measurements showed that all the films are p-type, the current–voltage characteristic of Br:CO3O4 /Si Heterojunction show change forward current at dark varies with applied voltage, high spectral response, specific detectivity and quantum efficiency of CO3O4 /Si detector with 8% of Br ,was deliberate, extreme value with 673nm.

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Publication Date
Sun Feb 01 2015
Journal Name
International Journal Of Computer Science And Mobile Computing
Electronic Commerce Obstacles for Educated Iraqi Women
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Electronic Commerce (EC) is an important field due to the many advantages it involves. This study aims to discuss the constraints surrounding educated Iraqi women which results overall lack of entering the EC and to give us additional insight into why they are avoiding entering this world. Results reveal that lack of awareness, lack of government policy and support, language, security and trust are the most important factors that contributes to EC adoption in addition to many other factors

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Publication Date
Fri Apr 01 2011
Journal Name
Journal Of Engineering
Membranes separation process for oily wastewater treatment
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Pilot-scale dead end microfiltration membranes were carried out to determine the feasibility of the process for treating the oily wastewater which discharge from some Iraqi factories such as power station of south of Baghdad and the general company of petrochemical industries. Polypropylene membranes (cylindrical shape) with different pore diameters (1 and 5 micron) were used to conduct the study on micromembrane process. The variables studied are oil concentration (100 – 1000 ppm), feed flow rate (20 – 40 l/h), operating temperature (31 – 50°C) and time (0 – 3 h). It was found that the flux increases with increasing feed flow rate, temperature and pore size of membrane, and decreases with increasing oil concentration and operating

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Publication Date
Thu May 06 2010
Journal Name
Journal Of Engineering
A PROPOSED PROCEDURE FOR ANALYSING REINFORCED EMBANKMENTS
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Publication Date
Tue Mar 01 2011
Journal Name
Journal Of Economic And Administrative Science
On Shrinkage Estimation for Generalized Exponential Distribution
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Publication Date
Thu Oct 21 2021
Journal Name
The 3rd Al-noor International Conference Of Science And Technology 2021 Muscat-oman
Gama Platform Survey for Agent-Based Modelling
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The agent-based modeling is currently utilized extensively to analyze complex systems. It supported such growth, because it was able to convey distinct levels of interaction in a complex detailed environment. Meanwhile, agent-based models incline to be progressively complex. Thus, powerful modeling and simulation techniques are needed to address this rise in complexity. In recent years, a number of platforms for developing agent-based models have been developed. Actually, in most of the agents, often discrete representation of the environment, and one level of interaction are presented, where two or three are regarded hardly in various agent-based models. The key issue is that modellers work in these areas is not assisted by simulation plat

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Publication Date
Fri Jan 01 2016
Journal Name
Modern Applied Science
New Combined Technique for Fingerprint Image Enhancement
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This paper presents a combination of enhancement techniques for fingerprint images affected by different type of noise. These techniques were applied to improve image quality and come up with an acceptable image contrast. The proposed method included five different enhancement techniques: Normalization, Histogram Equalization, Binarization, Skeletonization and Fusion. The Normalization process standardized the pixel intensity which facilitated the processing of subsequent image enhancement stages. Subsequently, the Histogram Equalization technique increased the contrast of the images. Furthermore, the Binarization and Skeletonization techniques were implemented to differentiate between the ridge and valley structures and to obtain one

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