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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
Sat Feb 01 2020
Journal Name
Iop Conference Series: Materials Science And Engineering
Improvement of the Gypseous soil properties by using Copolymer and Styrene-butadiene rubber
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Abstract<p>Gypseous soils are spread in several regions in the world including Iraq, where it covers more than 28.6% [1] of the surface region of the country. This soil, with high gypsum content causes different problems in construction and strategic projects. As a result of water flow through the soil mass, permeability and chemical arrangement of these soils vary over time due to the solubility and leaching of gypsum. In this study the soil of 36% gypsum content, is taken from one location about 100 km (62 mi) southwest of Baghdad, where the sample is taken from depth (0.5 - 1) m below the natural ground surface and mixed with (3%, 6%, 9%) of Copolymer and Styrene-butadiene Rubber to improve t</p> ... Show More
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Publication Date
Sat Jul 23 2022
Journal Name
Arab World English Journal
Impoliteness Formulas, Triggers, and Purposes to Refusal as Employed by Iraqi English Learners
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The present study aims at scrutinizing the impoliteness types, causes, and purposes utilized by Iraqi English language learners when refusing marriage proposals. Thus, it attempts to answer the questions: (1) what are the impoliteness formulas used by the Iraqi learners of English in refusing marriage proposals?, and (2) What are their impoliteness triggers/causes and the purposes? The study is significant in bridging the gap that few linguistic types of research concentrate on studying intentionality and emotions allied with impoliteness. Data were collected from 35 Iraqi learners of English responding to 6 situations of marriage. The data were analyzed using Culpeper’s (2011) formulas of impoliteness and Bousfield’s (2007) impolite

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Publication Date
Wed Apr 15 2015
Journal Name
Iraqi Journal Of Science
Removal of Lead and Chromium From Industrial Wastewater by Locally Citrobacter spp. Isolates
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Biosorption is an effective method to remove toxic metals from wastewaters. In this study biosorption of lead and chromium ions from solution was studied using Citrobacter freundii and Citrobacter kosari isolated from industrial wastewater. The experimental results showed that optimum grwoth temperature for both bacteria is 30oC and the optimum pH is 7 &6 for C. freundii and C. kosari respectively. While the optimum incubation period to remove Pb and Cr for C. freundii and C. kosari is 4 days and 3days respectively. Also the biosorption of Pb and Cr in mixed culture of bacteria and mixed culture of Pb and Cr was investigated. Result indicate that uptake of Cr and Pb for C.freundii, C. kosari and in mixes culture of both bacteria is 58%, 53%

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Publication Date
Wed Apr 11 2007
Journal Name
Journal Of Al-nahrain University
KINETICS AND MECHANISM STUDIES OF OXIDATION OF Α-AMINO ACIDS BY N-BROMOSUCCINIMIDE
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Kinetics and mechanism studies of oxidation of some α-amino acids (Proline, Arginine, Alanine) (AA) by N-Bromosuccinimide (NBS) by using conductivity method was carried out. The kinetic study showed that the reaction was first order with respect to NBS and AA. The effect of addition of HClO4 to the reaction was negative on the rate of reaction. The reaction was carried out at different temperatures in which  * * *   , S , G were calculated. The rate of reaction of AA was as follows: Proline > Arginine > Alanine

Publication Date
Fri Jul 01 2022
Journal Name
Arab World English Journal
Impoliteness Formulas, Triggers, and Purposes to Refusal as Employed by Iraqi English Learners
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The present study aims at scrutinizing the impoliteness types, causes, and purposes utilized by Iraqi English language learners when refusing marriage proposals. Thus, it attempts to answer the questions: (1) what are the impoliteness formulas used by the Iraqi learners of English in refusing marriage proposals?, and (2) What are their impoliteness triggers/causes and the purposes? The study is significant in bridging the gap that few linguistic types of research concentrate on studying intentionality and emotions allied with impoliteness. Data were collected from 35 Iraqi learners of English responding to 6 situations of marriage. The data were analyzed using Culpeper’s (2011) formulas of impoliteness and Bousfield’s (2007) imp

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Publication Date
Thu Sep 15 2022
Journal Name
Journal Of Baghdad College Of Dentistry
Determination of Surface Roughness and Accuracy of Alginate Impression Material Disinfected by Immersion
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Background: This study was conducted to evaluate the surface roughness and dimensional accuracy of commercially obtainable alginate impression material in terms of imbibition after immersion in two different media. Materials and method: Two disinfecting agents, ethanol 70% and povidone-iodine 4%, were used to access the dimensional accuracy and surface roughness of alginate impression material. Weights of specimen discs of alginate impressions were measured before and immediately after immersion to gain a measure of imbibition. For surface roughness, disinfected specimens rectangle was examined before and after disinfection. Results: Minimal changes in weight were observed after disinfection, but a statistically non-significant differenc

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Publication Date
Wed Nov 01 2017
Journal Name
Nano Hybrids And Composites
Photodetection of Near and Middle IR Lasers by f-MWCNTs/Polythiophen Nanocomposite Detector
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The combination of carbon nanotubes (CNT) and conducting polymers offers an attractive route for the production of novel compounds that can be used in a variety of applications such as sensors, actuators, and molecular scale electronic devices. In this work, functionalized multiwall carbon nanotubes (f-MWCNTs) were added in different load ratios (3 wt%, 5 wt% and 10 wt%) to thiophen (PTh) polymer to procedure PTh/CNTs nanocomposite and deposited on porous silicon substrate by electropolarization. Photoconductive detectors were fabricated using PTh/f-MWCNTs matrix to work in the near region and middle IR regions. These detectors were illuminated by semiconductor laser diode wavelength of 808(nm) and Nd-YAG laser of wavelength 1064 (n

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Publication Date
Sun Jun 21 2020
Journal Name
Baghdad Science Journal
Synthesis of Gold Nanoparticles by using Batch Method and Study its Antibacterial Activity
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The research involves preparing gold nanoparticles (AuNPs) and studying the factors that influence the shape, sizes and distribution ratio of the prepared particles according to Turkevich method. These factors include (reaction temperature, initial heating, concentration of gold ions, concentration and quantity of added citrate, reaction time and order of reactant addition). Gold nanoparticles prepared were characterized by the following measurements: UV-Visible spectroscopy, X-ray diffraction and scanning electron microscopy. The average size of gold nanoparticles was formed in the range (20 -35) nm. The amount of added citrate was changed and studied. In addition, the concentration of added gold ions was changed and the calibration cur

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Publication Date
Sun Feb 03 2019
Journal Name
Journal Of The College Of Education For Women
Context and its influence in direction of reference by Abi Hussein Al Basri
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Context and its influence in direction of reference by Abi Hussein Al Basri

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Publication Date
Fri Nov 29 2019
Journal Name
Iraqi Journal Of Physics
Morphological and optical properties of V2O5:TiO2 thin film prepared by PLD technique
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              In this work, pure and doped Vanadium Pentoxide (V2O5) thin films with different concentration of TiO2 (0, 0.1, 0.3, 0.5) wt  were obtained using Pulse laser deposition technique on amorphous glass substrate with thickness of (250)nm. The morphological, UV-Visible and Fourier Transform Infrared Spectroscopy (FT-IR) were studied. TiO2 doping into V2O5 matrix revealed an interesting morphological change from an array of high density pure V2O5 nanorods (~140 nm) to granular structure in TiO2-doped V2O5 thin film .Transform Infrared Spectro

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