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HOMO-LUMO Energies and Geometrical Structures Effecton Corrosion Inhibition for Organic Compounds Predict by DFT and PM3 Methods
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A theoretical study on corrosion inhibitors was done by quantum calculations includes semi-empirical PM3 and Density Functional Theory (DFT) methods based on B3LYP/6311++G (2d,2P). Benzimidazole derivative (oxo(4- ((phenylcarbamothioyl) carbamoyl)phenyl) ammonio) oxonium (4NBP) and thiourea derivative 2-((4- bromobenzyl)thio) -1H-benzo[d] imidazole (2SB) were used as corrosion inhibitors and an essential quantum chemical parameters correlated with inhibition efficiency, EHOMO (highest occupied molecular orbital energy) and ELUMO (lowest molecular orbital energy). Other parameters are also studied like energy gap [ΔE (HOMO-LUMO)], electron affinity (EA), hardness (Δ), dipole moment (μ), softness (S), ionization potential (IE), absolute electron negativity (χ), and global electrophilicity index (ω) respectively. Mulliken population was also essential to determine a local reactivity by indicating reactive centers and identifyinga potential nucleophilic and electrophilic attacks sites. The adsorption of compounds is also discussedwith the bonds length, the angles, and tetrahedral of molecules. The 2SB best from 4NBP as corrosion inhibitors according to theoretical and experimental proving.Predicated.

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Publication Date
Thu Oct 01 2015
Journal Name
International Journal Of Current Engineering And Technology
Synthesis of Gold Nanoparticle in the form of Paper Willow by Hot Chemical Reduction Method
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Abstract: Colloidal gold nanoparticles (ringworm Palm or in the form of paper willow) have been prepared from HAuCl4 containing aqueous solution by hot chemical reduction method. The colloidal gold nanoparticles were characterized by SEM, EDX, and UV-VIS absorption spectroscopy. It was found that the variation of reduction time from boiling point affects the size of the nanoparticles and also in chemical reduction approach the size of nanoparticles can be controlled by varying the amount of variation the volume of reductant material with respect to the volume of HAuCL4.

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Publication Date
Sun Dec 04 2022
Journal Name
Jordan Journal Of Biological Sciences
The Biological Effect of ZnO Nanoparticles Produced by Using Petroselinum crispum Extract against Candida spp
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Non-thermal or cold plasma create many reactive species and charged particles when brought into contact with plant extracts. The major constituents involve reactive oxygen species, reactive nitrogen species and plasma ultra-violets. These species can be used to synthesize biologically important nanoparticles. The current study addressed the effect of the green method-based preparation approach on the volumetric analysis of Zn nanoparticles. Under different operating conditions, the traditional thermal method and the microwave method as well as the plasma generation in dielectric barrier discharge reactor were adopted as a preparation approach in this study. The results generally show that the type of method used plays an important role in d

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Publication Date
Tue Jan 01 2008
Journal Name
Tikrit Journal Of Engineering Sciences
Nonlinear Analysis of CFRP- Prestressed Concrete Beams Subjected to Incremental Static Loading by Finite Elements
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Publication Date
Tue Jun 15 2021
Journal Name
Al-academy
Sustainability by recycling palm waste in designing women's belts: وفاء حسن شافعي -مرام زيد الحربي
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This research contributes to environmental sustainability by recycling natural waste resources in making clothing products. The research aims to employ palm trees waste in designing belts suitable for contemporary women's fashion trends. Both descriptive and applied research approaches were used. Therefore, a collection of belts was designed and implemented. Then, a questionnaire was used to assess the extent to which the implemented belts achieved in sustainability standards using Likert scale. The sample size was 60 women. The data were analyzed using the SPSS program to calculate the arithmetic mean and standard deviation. One of the significant results of the research is the high average scores of the criteria for achieving sustainab

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Publication Date
Tue Nov 01 2022
Journal Name
Bulletin Of National Institute Of Health Sciences
Using of Propolis on the treated rats induced with Polysystic ovarian syndrome by Litrozol drug
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Publication Date
Wed Nov 07 2018
Journal Name
Iraqi National Journal Of Nursing Specialties
Evaluation of the Hardness of Cold Cured Acrylic Resin Material by Processing at Different Temperature
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Objective(s): This study aims to evaluate the hardness of two commercially available cold cured acrylic resin material
(Vertex and PAN) when polymerized at different temperature in comparison to those polymerized by conventional
methods in air at 23C ± 5C.
Methodology: Eighty specimens, forty from cold cured acrylic (Vertex Type) and forty from cold cured acrylic (PAN
type) were prepared, flasking and packing procedure were done according to manufacturer direction and divided
according to processing as follow: 20 specimens (10 from Vertex type and 10 from PAN type) were processed in air for
two hours at 23C ± 5C under press (bench curing) as a control, and 60 specimens (30 from Vertex type and 30 from
PAN type) wer

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Publication Date
Thu Jun 30 2011
Journal Name
Al-kindy College Medical Journal
Antenatal diagnosis of myometrial invasion in anterior placenta previa by transabdominal color Doppler ultra sound
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Background: The incidence of maternal mortality in
placenta previa accrete is 7%,and its preoperative
diagnosis is of a great value.
Objective: to evaluate the efficacy of transabdominal
color Doppler ultrasound in diagnosing placenta
previa accreta and inccreta. Color Doppler imaging
criteria used in: includes diffuse parenchymal
placental lacunar flow, focal intra parenchymal
placental lacunar flow and bladder uterine serosa
interphase hyper-vascularity.
Design: Prospective study on patients from
January2007 to January 2008.
Patients and method: 48patients with one caesarean
section or more and with persistent anterior placenta
previa diagnosed by transabdominal ultrasound were
examined by c

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Publication Date
Fri Jun 01 2018
Journal Name
Journal Of The College Of Languages (jcl)
A Critical Stylistic Analysis of the Ideological Positioning in Some Selected Poems by John Donne
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This paper deals with the ideological positioning of the English poet John Donne in a selected poems of his i.e Holy Sonnet X, as regards the theme of death found therein. The researchers adopt an emerging branch of stylistics, called Critical Stylistics, as proposed by Jeffries (2010) in order to uncover the ideologies of the author regarding the topic concerned and how linguistic choices are used to slant ideas. The model is comprised of ten tools of analysis which, upon being applied to the selected data, have shown how the poet exploits language resources in order to pass his ideology and influence his readers. In this paper, the workings of only one tool are presented as applied to a certain portion of the data.

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Publication Date
Sat Oct 14 2023
Journal Name
Environmental Monitoring And Assessment
The technique of arsenic elimination from contaminated soil with enhanced conditions by electro-kinetic remediation
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Publication Date
Mon Jan 01 2024
Journal Name
Itm Web Of Conferences
Embedded Neural Network like PID Water Heating Controller Implementing Cycle by Cycle Power Control Scheme
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This paper experimentally investigates the heating process of a hot water supply using a neural network implementation of a self-tuning PID controller on a microcontroller system. The Particle Swarm Optimization (PSO) algorithm employed in system tuning proved very effective, as it is simple and fast optimization algorithm. The PSO method for the PID parameters is executed on the Matlab platform in order to put these parameters in the real-time digital PID controller, which was experimented with in a pilot study on a microcontroller platform. Instead of the traditional phase angle power control (PAPC) method, the Cycle by Cycle Power Control (CBCPC) method is implemented because it yields better power factor and eliminates harmonics

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