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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
Fri Jan 20 2023
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Anti-tumor Activity of Plantago lanceolata Aqueous Extract In Vitro and Genotoxicity by Micronucleus Assay In Vivo
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The study is designed to evaluate the effect of the aqueous extract of the P. lanceolata plant, as well as to know the effect of the drug CCl4 on the formation of micronucleus in vivo 48 female albino mice. In the study mice were separated into eight groups treated intraperitoneally for seven day first group Negative control, second positive control( CCl4 0.02%), third group aqueous extract (250 mg/kg), fourth group  aqueous extract (500 mg/kg), fifth group (CCl4 0.02%) plus aqueous extract (250 mg/kg), sixth group (CCl4 0.02%) plus aqueous extract (500 mg/kg), seventh group aqueous extract (250 mg/kg) plus (CCl4 0.02%), and eighth group aqueous extract (500 mg/kg) plus (CCl4 0.02%). The genetic-cellular asp

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Publication Date
Wed Dec 01 2010
Journal Name
Iraqi Journal Of Physics
Current–voltage and capacitance-voltage characteristics of Se/Si heterojunction prepared by DC planar magnetron sputtering technique
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In this work, the effect of annealing temperature on the electrical properties are studied of p-Se/ n-Si solar cell, which p-Se are deposit by DC planar magnetron sputtering technique on crystal silicon. The chamber was pumped down to 2×10−5 mbar before admitting the gas in. The gas was Ar. The sputtering pressure varied within the range of 4x10-1 - 8x10-2mbar by adjusting the pumping speed through the opening control of throttle valve. The electrical properties are included the C-V and I-V measurements. From C-V measurements, the Vbi are calculated while from I-V measurements, the efficiency of solar cell is calculated.

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Publication Date
Mon Jun 01 2015
Journal Name
Journal Of The College Of Languages (jcl)
An Analysis of Textual Themes in M.A Theses and Ph. D. Dissertations Written by Iraqi EFL Learners
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The present study investigates the realization and significance of textual themes in the organizational structure of M.A theses and Ph.D. dissertations, namely: the abstracts, introductions and conclusions, since in such parts the students depend on their own expressions, styles and constructions to express different viewpoints, plans, inferences, etc. The study also investigates the similarities and differences between M.A theses and Ph.D. dissertations concerning the use of textual themes;it sets out to conduct a detailed analysis of textual themes used in such texts. In conducting such an analysis, the study adopts Halliday's (1994) approach of textual themes. The results of such an analysis have clearly shown that, in spite of the di

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Publication Date
Tue Jul 09 2019
Journal Name
Global Journal Of Public Health Medicine
IMPROVING THE ANTIBACTERIAL ACTIVITY BY THE COMBINATION OF ZIRCONIUM OXIDE NANOPARTICLES (ZrO2) AND CEFTAZIDIME AGAINST KLEBSIELLA PNEUMONIAE
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Klebsilla pneumoniae is one of must opportunistic pathogens that causes nosocomial infection, UTI, respiratory tract infections and blood infections. ZrO2 nanoparticles have antimicrobial activity against some pathogenic bacteria and fungi. Ceftazidime is one of third generation cephalosporins groups of antibiotecs, characterized by its broad spectrum on bacteria in general and particularly on Enterobacteriaceae family like Klebsiella spp. Method: Diverse clinical samples of Klebsilla pneumoniae were isolated from several hospitals in Baghdad – Iraq and ZrO2 nanoparticles was investigated against it. Ceftazidime was also investigated against K. pneumoniae. Both of ZrO2 nanoparticles and ceftazidime were mixed together and investigated aga

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Publication Date
Wed Oct 28 2020
Journal Name
Iraqi Journal Of Science
Paleoredox and Environmental Conditions of Southern Neo-Tethys Deposits in South Iraq (Yamama Formation) by Geochemical Indicators
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A geochemical and environmental study was carried out for the sediments of the Southern Neo-Tethys Ocean, represented by the Yamama Formation (Berriasian-Valaganian) in southern Iraq. The formation has a particular reservoir importance. The typical WQ-220 and WQ-280 wells were selected from the West Qurna field. Data of Gamma-ray logs were used for 30 depths of the typical well. Ten core samples were analyzed by X-Ray Fluoresces and total organic matter from both wells. The results showed that shaliness was relatively low, with an average of 16.5%, leading to a decrease in the presence of clay minerals and trace elements because the environment of the Yamama Formation is relatively far away from the coast. Qualitative evaluation of clay

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Publication Date
Tue Mar 30 2021
Journal Name
Baghdad Science Journal
Diversity Assessment by Molecular Barcoding and Seed Morphology in Ricinus communis L.: Molecular diversity of Ricinus seeds
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Fourteen morphologically varied Ricinus communis L. seeds were collected from different localities in Egypt, El-Sudan and Saudi Arabia. Seed morphology and ITS barcoding analysis were performed to assess their diversity and phylogenetic relationship. Sequence’s alignment of nrITS region from different accessions display high levels of genetic similarities. Cluster analysis could not group different accessions according to their geographical distribution. Nevertheless, the genetic barcodes are interestingly matched with the morphological features of the Ricinus seeds. In conclusion, seed morphology proved to be a valuable tool in evaluating biodiversity and phylogenetic relationship in plant species with different loca

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Publication Date
Sat Jan 01 2011
Journal Name
Journal Of Engineering
MIXED CONVECTION PHENOMINA AFFECTED BY RADIATION IN A HORIZONTAL RECTANGULAR DUCT WITH COCENTRIC AND ECCENTRIC CIRCULAR CORE
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The numerical investigation has been performed to study the radiation affected steady state laminar mixed convection induced by a hot inner varied positions circular core in a horizontal rectangular channel for a fully developed flow. To examine the effects of thermal radiation on thermo fluid dynamics behavior in the eccentric geometry channel, the generalized body fitted co-ordinate system is introduced while the finite difference method is used for solving the radiative transport equation. The governing equations which used are continuity, momentum and energy equations. These equations are normalized and solved using the Vorticity-Stream function. After validating numerical results for the case without radiation, the detailed rad

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Publication Date
Mon Jun 30 2008
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
The Effect of Temperature and pH on the Removal / Recovery of ZN++ from Solution by Chemical Coagulation
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This work was conducted to study the treatment of industrial waste water, and more particularly those in the General Company of Electrical Industries.This waste water, has zinc ion with maximum concentration in solution of 90 ppm.
The reuse of such effluent can be made possible via appropriate treatments, such as chemical coagulation, Na2S is used as coagulant.
The parameters that influenced the waste water treatment are: temperature, pH, dose of coagulant and settling time.
It was found that the best condition for zinc removal, within the range of operation used ,were a temperature of 20C a pH value of 13 , a coagulant dose of 15 g Na2S /400ml solution and a settling time of 7 days. Under these conditions the zinc concentrat

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Publication Date
Tue Sep 25 2018
Journal Name
Iraqi Journal Of Science
Enhancement of Seismic reflectors by using VSP and Seismic Inversion in Sindbad oil field, south of Iraq
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The purpose of this research is to enhance the methods of surface seismic data processing and interpretation operations by using the produced information of vertical seismic profile (measured velocity and corridor stack). Sindbad oil field (South of Iraq) is chosen to study goals and it's containing only one well with VSP survey (Snd2) that covering depth from Zubair to Sulaiy Formations and 2D seismic lines of Basrah Survey. The horizons were picked and used with low frequency contents from well data for the construction of low frequency model and it was used with high frequency of VSP to make the high frequency model that compensated to seismic main frequency through inversion process. Seismic inversion technique is performed on post s

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Publication Date
Thu Mar 30 2023
Journal Name
Iraqi Journal Of Science
Improvement of the physical, mechanical and thermal insulation properties to produce gypsum boards by using waste materials
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In this paper, a study of improving the physical properties, mechanical and thermal insulation are conducted to produce gypsum boards with lightweight from waste materials. These boards can be used as an internal packaging wall or partitions tile of non-Bering with a high thermal insulation. Gypsum plaster mixed with waste material like (PET Polyethylene terephthalate, sawdust in size4.75mm and rubber) in different ratio (5%, 7%, 10%, 15%, 20%, 25%and 30%) of plaster to produce boards and then to find out the effect of these materials on the properties of boards, so that tests of consistency, setting time, flexural strength, density and thermal conductivity were achieved for all samples to find out this effect. The result shows that the

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