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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
Sun Nov 01 2015
Journal Name
Journal Of Engineering
BatchHeavy MetalsBiosorption by Punica granatum Peels: Equilibrium andKinetic Studies
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This research was conducted to study the feasibility of using fruit peels as biosorbent for removal of Pb+2, Cu+2 and Zn+2 ions from simulated wastewater. A waste biomass of Pomegranate Peel or Punicagranatum L. (P. granatum L.) was chosen as neutral biosorbent in this study.Fourier transformation infrared (FTIR) was used to characterize the surface of PGP, the results confirm that amino, carboxylic, hydroxyl and carbonyl group on the surface of PGP. Different parameters such as initial concentration range between (25-200) mg/L, pH (3-7), contact time (1-2) hour, amount of sorbent (0.1- 4) gm, agitation speed range (200- 500) rpm and temperature (25- 50oC), influencing the sorp

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Publication Date
Thu Oct 01 2009
Journal Name
Baghdad University
Treatment of Cutaneous Leishmaniasis by Topical 25% Podophyllin Solution
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AG Al-Ghazzi, 2009

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Publication Date
Tue Aug 01 2017
Journal Name
International Journal Of Scientific & Engineering Research
Integrated System of Information hiding by Applying Three levels
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MB Mahmood, BN Dhannoon

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Publication Date
Thu Dec 19 2024
Journal Name
Al-rafidain J Med Sci
Assessment of High Risk Pregnant Women by Fetal Echocardiography
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Publication Date
Sun Nov 01 2020
Journal Name
Solid State Technology
Durability Of Gypsum Soil Treated By Using Polyurethane Polymer
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Gypseous soils represented one of the most complex salty soils that faced the geotechnical engineers. Structures that built on gypsum soil will undergo unexpected distortions that will eventually contribute to catastrophic failure. The purpose of this article is to understand the durability of gypsum soil against wetting drying cycles after improvement with polyurethane polymer especially investigate the effect of the wetting-drying cycle on collapsibility. The soil was brought from Sawa lake in AL-Muthanna Governorate in Iraq, with gypsum content 65.5%,  A set of Odometer tests were performed to determine the collapsibility potential (CP) for treated and untreated gypsum soil.  The result shows that adding a different per

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Publication Date
Thu Jun 07 2012
Journal Name
Scientific Research And Essays
Security verification of the return routability protocol by Murphi
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Publication Date
Sun Jun 01 2014
Journal Name
Soils And Foundations
Studying collapse potential of gypseous soil treated by grouting
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Publication Date
Fri Sep 30 2016
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Removal of Cadmium Ions from Wastewater by Batch Experiments
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Adsorption experiments were carried out using two different low-cost sorbent materials, date seeds and olive seeds. These sorbents used as a single phase (not as mixture) to remove cadmium ions from simulated wastewater by adsorption process. The equilibrium time was found at 2 hr. The experiments include different parameters such sorbent type and weight and contact time. It was found that both of olive seed and date seed have approximately the same adsorption capacity (qm) with 15.644 mg/g and 15.2112 mg/g, respectively. Equilibrium isotherms and kinetic studies have been carried out. Langmuir isotherm model better fits the experimental data compared with the Freundlich isotherm for olive seed, while Freundlich isotherm fits for date se

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Publication Date
Mon Dec 18 2017
Journal Name
Al-khwarizmi Engineering Journal
Reducing the Water Hardness by Using Electromagnetic Polarization Method
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Hard water does not pose a threat to human health but may cause precipitation of soap or results stone in the boilers. These reactions are caused by the high concentrations of Ca and Mg. In the industry they are undesirable because of higher fuel consumption for industrial use .Electromagnetic polarization water treatment is a method which can be used for increasing the precipitation of Ca 2+ and CO3 2- ions in hard water to form CaCO3 which leads to decrease the water hardness is research has been conducted by changing the number of coil turns and voltage of the system. The spectroscopy electron microscope was used for imaging the produced crystals. Results of the investigation indicated that

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Publication Date
Sun Jan 01 2017
Journal Name
Brazilian Journal Of Analytical Chemistry
Determination of insecticides in different commercialformulations by Gradient HPLC
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A simple, accurate and rapid method for separation and determination of most commonly usedinsecticides in Iraq [thiamethoxam (Thi), imidacloprid (Imi), indoxacarb (Ind), and abamectin (Aba)] ispresented. The separation was performed by gradient reversed-phase high performance liquidchromatography on a C18 stationary phase column. The method was developed and validated. The-1mobile phase was a mixture of acetonitrile and water using gradient flow. The flow rate was 1.0 mL min .The optimum temperature of separation was 25 ºC. The detection was performed at multiple wavelengths.The analysis time was up to 10.5 minutes with retention times of 3.221, 3.854, 6.385, and 9.452 min for-1the studied insecticides. The linearity was in the range of 0.

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