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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 Nov 20 2020
Journal Name
Agriculture
Predicting Phosphorus and Potato Yield Using Active and Passive Sensors
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Applications of remote sensing are important in improving potato production through the broader adoption of precision agriculture. This technology could be useful in decreasing the potential contamination of soil and water due to the over-fertilization of agriculture crops. The objective of this study was to assess the utility of active sensors (Crop Circle™, Holland Scientific, Inc., Lincoln, NE, USA and GreenSeeker™, Trimble Navigation Limited, Sunnyvale, CA, USA) and passive sensors (multispectral imaging with Unmanned Arial Vehicles (UAVs)) to predict total potato yield and phosphorus (P) uptake. The experimental design was a randomized complete block with four replications and six P treatments, ranging from 0 to 280 kg P ha−1, as

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Publication Date
Thu Jun 21 2012
Journal Name
J.food Industries And Nutr. Sci
Preparation and Characterization of Maleate, Tartarate,and Phthalate Modified Pectin
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Preparation and Characterization of Maleate, Tartarate,and Phthalate Modified Pectin

Publication Date
Sun Mar 01 2020
Journal Name
Astrophysics And Space Science
The compound stream event of March 20-25, 2011 as measured by the STEREO B spacecraft
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Abstract<p>The interaction of interplanetary coronal mass ejections (ICME) with each other and with co-rotating interaction regions (CIR) changes their configuration, dynamics, magnetic field and plasma characteristics and can make space weather forecasting difficult. During the period of March 20–25, 2011, the Solar Terrestrial Relation Observatory (<italic>STEREO</italic> B) encountered a compound stream containing several interacting structures. Our analysis suggests that the stream consists of two ICMEs followed by an embedded ICME/CIR. The sudden appearance of the third ICME within the fast wind side of the CIR causes the proton temperature(<inline-formula><alternatives><tex-math></tex-math></alternatives></inline-formula></p> ... Show More
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Publication Date
Tue Aug 03 2021
Journal Name
Key Engineering Materials
A Comparison Study between Asymmetrical Castellated Steel Beams Encased by Reactive Powder Concrete with Laced Reinforcement
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The main objectives of this study are to study the enhancement of the load-carrying capacity of Asymmetrical castellated beams with encasement the beams by Reactive Powder Concrete (RPC) and lacing reinforcement, the effect of the gap between top and bottom parts of Asymmetrical castellated steel beam at web post, and serviceability of the confined Asymmetrical castellated steel. This study presents two concentrated loads test results for four specimens Asymmetrical castellated beams section encasement by Reactive powder concrete (RPC) with laced reinforcement. The encasement of the Asymmetrical castellated steel beam consists of, flanges unstiffened element height was filled with RPC for each side and laced reinforced which are use

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Publication Date
Tue May 30 2017
Journal Name
Environmental Earth Sciences
Purification of aqueous solutions from Pb(II) by natural bentonite: an empirical study on chemical adsorption
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Publication Date
Sat Nov 30 2024
Journal Name
Iraqi Journal Of Science
Effects of Phenolic Plant Extracts on Biofilm Formation by Klebsiella pneumoniae Isolated from Urinary Tract Infections
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Ten isolates of Klebsiella pneumoniae, seven isolates of Pseudomonas aeruginosa and nine isolates of Staphylococcus aureus, were obtained from 100 urine samples collected from Baghdad hospitals. All isolates were identified biochemically and confirmed by using VITEK 2 and were then tested for their susceptibility towards 6 antibiotics and for phenolic extracts of Thymus vulgaris and Cinnamomum cassia. All bacteria were greatly affected by T. vulgaris, especially K. pneumoniae. Viable count was performed, it was noted that the number of bacterial cells reduced from 1×108 CFU to 1.2× 103, 2×105 and 1.8×106CFU of K. pneumoniae, P. aeruginosa and S. aureus respectively. While C. cassiahad a slight effect on them. K. pneumoniae isola

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Publication Date
Sun Jan 01 2023
Journal Name
مجلة ميسان للدراسات الأكاديمية
Enhancing Photostability Of Maxillofacial Silicone By The Addition Of Ultraviolet Absorbing Bisoctrizole:, A Review Of Literature
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Publication Date
Wed Apr 01 2015
Journal Name
((المؤتمر العلمي الدولي لجمعية صيانة المصادر الوراثية والبيئية العراقية ((مؤتمر الوراثة والبيئة الثالث
Ecofriendly Synthesis Of Silver Nanoparticles By Naringe Leaf Extract, Study The Antimicrobial Activityal Against Pathogenic Bacteria
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Publication Date
Wed Mar 29 2023
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Improving the Recovery of Hydrocarbons in a Well in the Gullfaks Field by Injecting Sequestrated CO2
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The Gullfaks field was discovered in 1978 in the Tampen area of the North Sea and it is one of the largest Norwegian oil fields located in Block 34/10 along the western flank of the Viking Graben in the northern North Sea. The Gullfaks field came on stream in 1986 and reached a peak of production in 2001. After some years, a decrease in production was noticed due to the decrease in pressure in the well. The goal of this paper is to improve the production of a well located in Gullfaks field by injecting CO2 through coiled tubing. The use of the CO2 injection method is due to the fact that it is a greenhouse gas, and its production in the atmosphere contributes to global warming. It is important to reduce its emission

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Publication Date
Sun Jan 01 2023
Journal Name
Aip Conference Proceedings
Recovery of methyl orange from aqueous solutions by bulk liquid membrane process facilitated with anionic carrier
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Dyes are extensively water-soluble and toxic chemicals. The disposing of wastewater rich with such chemicals has severely impacted surface water quality (rivers and lakes). In the current study, an anionic dye, methyl orange, were extracted from wastewater fluids using bulk liquid membranes supplemented with an anionic carrier (Aliquat 336 (QCI)). Parameters including solvent type (carbon tetrachloride and chloroform), membrane stirring speed (100-250 rpm), mixing speed of both phases (50-100 rpm), The feed pH (2-12) and implemented temperature (35-60 °C) were thoroughly analyzed to determine the effect of such variables on extraction effectiveness. Furthermore, the effect of methyl orange (10-50 ppm) in the feed stage and NaOH (0

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