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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
Wed Aug 02 2017
Journal Name
International Journal Of Materials Chemistry And Physics
Assessing the Sustainability of Asphalt Stabilized Subgrade Soil for Embankment Construction
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Gypseous soil is considered as a problematic soil for embankment construction, however, implementation of emulsified asphalt as a stabilization agent could be a proper solution for enhancing its properties as a subgrade soil. In this work, the sustainability of asphalt stabilized soil has been assessed in terms of its resistance to cyclic (freezing-thawing) and (heating-cooling) processes. Specimens have been prepared at optimum fluid content (moisture and emulsion) and tested under direct shear stresses while subjected to 30 cycles of (freezing-thawing) and (heating-cooling). Both of dry and soaked testing conditions have been implemented. Data have been observed after each 10 cycles, and compared with that of reference mix. It was conclud

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Publication Date
Wed Nov 02 2011
Journal Name
Journal Of Engineering
Implementation of Gypseous Soil-asphalt Stabilization Technique for Base Course Construction
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The aim of this research work is to study the effect of stabilizing gypseous soil, which covers vast areas in the middle, west and south parts of Iraq, using liquid asphalt on its strength properties to be used as a base course layer replacing the traditional materials of coarse aggregate and broken stones which are scarce at economical prices and hauling distances. Gypseous soil brought from Al-Ramadi City, west of Iraq, with gypsum content of 66.65%, medium curing cutback asphalt (MC-30), and hydrated lime are used in this study. The conducted tests on untreated and treated gypseous soil with different percentages of medium curing cutback asphalt (MC-30), water, and lime were: unconfined compression strength, and one dimensional confine

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Publication Date
Wed Jul 17 2019
Journal Name
Aip Conference Proceedings
The interpolation effect on the spare sinogram for 3D image reconstruction
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The effect of using three different interpolation methods (nearest neighbour, linear and non-linear) on a 3D sinogram to restore the missing data due to using angular difference greater than 1° (considered as optimum 3D sinogram) is presented. Two reconstruction methods are adopted in this study, the back-projection method and Fourier slice theorem method, from the results the second reconstruction proven to be a promising reconstruction with the linear interpolation method when the angular difference is less than 20°.

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Publication Date
Mon Jan 01 2018
Journal Name
Https://medwelljournals.com/journalhome.php?jid=1816-949x
Some generalized n-tuplet coincidence point theorems for nonlinear contraction mappings
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Publication Date
Sat Dec 31 2016
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Osmotic Membrane Bioreactor for Oily Wastewater Treatment using External & Internal Configurations
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The present work aims to study the treatment of oily wastewater by means of forward osmosis membrane bioreactor process. Side stream (external) configuration and submerged (internal) configuration of osmotic membrane bioreactor were performed and investigated. The experimental work for each configuration was carried out continuously over 21 days. The flux behavior of forward osmosis membrane in an osmotic membrane bioreactor (OMBR) was investigated, using NaCl as the draw solution and CTA as FO membrane. The effect of mixed liquor suspended solids (MLSS) concentration and TDS accumulation of bioreactor on water flux and membrane fouling behaviors was detected. The accumulation and rejection of nutrients in the bioreactor (Nitrate, COD,

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Publication Date
Tue Jul 01 2014
Journal Name
Computer Engineering And Intelligent Systems
Static Analysis Based Behavioral API for Malware Detection using Markov Chain
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Researchers employ behavior based malware detection models that depend on API tracking and analyzing features to identify suspected PE applications. Those malware behavior models become more efficient than the signature based malware detection systems for detecting unknown malwares. This is because a simple polymorphic or metamorphic malware can defeat signature based detection systems easily. The growing number of computer malwares and the detection of malware have been the concern for security researchers for a large period of time. The use of logic formulae to model the malware behaviors is one of the most encouraging recent developments in malware research, which provides alternatives to classic virus detection methods. To address the l

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Publication Date
Wed Jan 20 2021
Journal Name
Journal Of Applied Sciences And Nanotechnology
Correlation of MicroRNAs-122a Gene Expression with Diabetic for Iraqi Patients
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This study was carried out to describe the gene expression of the micro RNA 122a gene with the development of diabetes in Iraq. The difference in gene expression between patients and healthy controls was properly considered. In this study, blood was isolated from 121 individuals divided into two groups as follows: 80 samples of diabetic patients and 41 samples from a healthy control. miRNA was isolated and transformed into cDNA, and the expression of mi122a was measured by qRT-PCR. The researchers looked at the relationship between age and gender and the occurrence of diabetes, as well as how they compared to controls. When comparing the mean gene expression level (Ct) of patient groups to the corresponding Ct means in the control group, th

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Publication Date
Fri Oct 01 2021
Journal Name
Journal Of Al-rafidain University College For Sciences ( Print Issn: 1681-6870 ,online Issn: 2790-2293 )
Nutritional Status of Children below Five Years in Iraq for 2018
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In this article we analysis the data of Iraqi children aged 0-9 months covered in Multiple Indicator Cluster Survey (MICS6-2018) to evaluate the nutritional status . Weight for-age z-score (WAZ), height-for-age z-score (HAZ) and BMI-for-age z-score were compared with the z-scores WHO standards. The overall prevalence of underweight and stunting of the children were 4 % and 11% respectively. Prevalence of overweight based on BMI-for-age for the sexes combined was 21%. Comparing the results obtained from MICS-6 with the results obtained from MICS-4, we find that there is an improvement in the nutritional status of Iraqi children concerning weight, but as for height, we find that there is an increase in the percentage of children who suffer fr

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Publication Date
Fri Nov 30 2018
Journal Name
Iop Conference Series: Materials Science And Engineering
Damage pattern scope prediction for well point dewatering on building foundations
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Publication Date
Mon Nov 09 2020
Journal Name
Construction Research Congress 2020
Alternative Risk Models for Optimal Investment in Portfolio-Based Community Solar
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