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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 14 2018
Journal Name
Journal Of Engineering
Regression Modeling of EDM Process for AISI D2 Tool Steel with RSM
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In this paper, Response Surface Method (RSM) is utilized to carry out an investigation of the impact of input parameters: electrode type (E.T.) [Gr, Cu and CuW], pulse duration of current (Ip), pulse duration on time (Ton), and pulse duration off time (Toff) on the surface finish in EDM operation. To approximate and concentrate the suggested second- order regression model is generally accepted for Surface Roughness Ra, a Central Composite Design (CCD) is utilized for evaluating the model constant coefficients of the input parameters on Surface Roughness (Ra). Examinations were performed on AISI D2 tool steel. The important coefficients are gotten by achieving successfully an Analysis of V

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Publication Date
Tue Jan 01 2019
Journal Name
Journal Of Global Pharma Technology
Synthesis and characterization of chitosan schiff base hydrogel for controlled drug release
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Chitosan-schiff base with three different ratios of para-Dimethyl aminobenzaldehyde& chitosan Schiff base hydrogels have been prepared for controlled drug release study. The synthesized chitosan Schiff base and chitosan Schiff base hydrogel were characterized by FT-IR, UV-Visible, SEM, analysis. Swelling properties of the hydrogel were investigated at three different media pH (2, 7, 10). The swelling degree varied with the pH, amount of crosslinking agent glutaraldehyde and with the amount of paraDimethylaminobenzaldehyde for the hydrogels. All hydrogels were used for controlled drug release system. Aspirin was used as model drug, in three different buffer solution (2, 7, 10) as release media. The rate of release of drugs in the pH2 is m

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Publication Date
Sun Dec 11 2022
Journal Name
Journal Of The College Of Basic Education
Rationalization of two strength endurance tests for juniors Ages under (16) years
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Carrying strength is one of the important physical capabilities in the field of competitive sports, which affects the success of the sports training process and helps players to continue to perform skillfully, physically and tactically for as long as possible, and the capacity for endurance varies depending on the type of sports activities, it may sometimes be very short. And with a high level of intensity, such as gymnastics and wrestling movements, and it may be long, and with a medium level of intensity, as in basketball, football and other games. The research community represents a sample of Baghdad players for teams (football, basketball, handball, volleyball, wrestling, weightlifting) and for the sports season (2017-2018 AD) for ages

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Publication Date
Thu Dec 01 2011
Journal Name
Swarm And Evolutionary Computation
Energy-aware evolutionary routing protocol for dynamic clustering of wireless sensor networks
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Publication Date
Wed Jul 20 2022
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Optimization of process parameters for biodiesel production from three indigenous vegetable oils
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Optimization procedures using a variety of input parameters have gotten a lot of attention, but using three non-edible seed oils of Jatropha (Jatropha curcas), Sesame (Sesamum indicum), and Sweet Almond (Prunusamygdalus dulcis) has a few advantages, including availability and non-food competitiveness. Optimizing a two-stage trans-esterification process using a sodium hydroxide-based catalyst at a fixed catalyst (1.0wt %) and temperature (60 oC) while varying molar ratio (1:3, 1:6, 1:12),  time (20–60 min), and mixing speed (500–1000 rpm), to produce optimal responses of yields were studied using response surface methodology (RSM). The optimization solution of molar ratio (1:3), time (40.9 min.),

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Publication Date
Wed Jan 01 2020
Journal Name
Ieee Access
Modified Elman Spike Neural Network for Identification and Control of Dynamic System
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Publication Date
Thu Dec 01 2022
Journal Name
Baghdad Science Journal
Fabrication of Electrospun Nanofibers Membrane for Emulsified Oil Removal from Oily Wastewater
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The electrospun nanofibers membranes have gained considerable interest in water filtration applications. In this work, the fabrication and characterization of the electrospun polyacrylonitrile-based nonwoven nanofibers membrane are reported. Then, the membrane's performance and antifouling properties were evaluated in removing emulsified oil using a cross flow filtration system. The membranes were fabricated with different polyacrylonitrile (PAN) concentrations (8, 11, and 14 wt. %) in N, N-Dimethylformamide (DMF) solvent resulted in various average fiber sizes, porosity, contact angle, permeability, oil rejection, and antifouling properties. Analyses of surface morphology of the fabricated membranes before and after oil removal revealed

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Publication Date
Sun Nov 14 2021
Journal Name
2021 North American Power Symposium (naps)
Laplace Domain Modeling of Power Components for Transient Converter-Grid Interaction Studies
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This paper introduces a Laplace-based modeling approach for the study of transient converter-grid interactions. The proposed approach is based on the development of two-port admittance models of converters and other components, combined with the use of numerical Laplace transforms. The application of a frequency domain method is aimed at the accurate and straightforward computation of transient system responses while preserving the wideband frequency characteristics of power components, such as those due to the use of high frequency semiconductive switches, electromagnetic interaction between inductive and capacitive components, as well as wave propagation and frequency dependence in transmission systems.

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Publication Date
Tue Dec 26 2017
Journal Name
Al-khwarizmi Engineering Journal
Determination of Welding Velocity and Arc Energy for Fusion MAG Welding Joint
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 Abstract

This paper is an experimental work to determinate the effect of welding velocity and formed arc energy for CO2-MAG fusion weld pool. The input parameters (arc voltage, wire feed speed and gas flow rate) were investigated to find their effects on the weld joint efficiency. Design of experiment with response surface methodology technique was used to build empirical mathematical models for welding velocity and arc energy in term of the input welding parameters. The predicted quadratic models were statistically checked for adequacy purpose by ANOVA analysis. Additionally, numerical optimization was conducted to obtain the optimum values for welding velocity and arc energy. A good agree

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Publication Date
Mon Jan 01 2018
Journal Name
Journal Of Biotechnology Research Center
Treatment of Waste Paper Using Ultrasound and Sodium Hydroxide for Bioethanol Production
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Bioethanol produced from lignocellulose feedstock is a renewable substitute to declining fossil fuels. Pretreatment using ultrasound assisted alkaline was investigated to enhance the enzyme digestibility of waste paper. The pretreatment was conducted over a wide range of conditions including waste paper concentrations of 1-5%, reaction time of 10-30 min and temperatures of 30-70°C. The optimum conditions were 4 % substrate loading with 25 min treatment time at 60°C where maximum reducing sugar obtained was 1.89 g/L. Hydrolysis process was conducted with a crude cellulolytic enzymes produced by Cellulomonas uda (PTCC 1259).The maximum amount of sugar released and hydrolysis efficiency were 20.92 g/L and 78.4 %, respectively. Sugars

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