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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 Jan 01 2020
Journal Name
International Journal Of Internet Protocol Technology
A low cost paging scheme for clustered PMIPv6 protocol by head-MAG entity utilisation
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Publication Date
Sun Sep 07 2014
Journal Name
Baghdad Science Journal
Deriving the Composite Simpson Rule by Using Bernstein Polynomials for Solving Volterra Integral Equations
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In this paper we use Bernstein polynomials for deriving the modified Simpson's 3/8 , and the composite modified Simpson's 3/8 to solve one dimensional linear Volterra integral equations of the second kind , and we find that the solution computed by this procedure is very close to exact solution.

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Publication Date
Wed Jan 01 2025
Journal Name
Journal Of Applied Spectroscopy
Evaluation of Stability Constant for Vitamin B1 Depending on Stoichiometric Curves by Visible Spectroscopy
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Publication Date
Sun Mar 01 2009
Journal Name
Al-khwarizmi Engineering Journal
The Optimum Conditions for Production of Soya Peptone by Acidic Hydrolysis of Soya Proteins
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     This study was carried out to obtain the optimum conditions necessary for the process of soya protein hydrolysis by using hydrochloric acid (as a chemical catalyst) instead of the papain enzyme (as a biological catalyst), for the production of soya peptone. These conditions are implemented to test the effect of the variables of the process of hydrolysis on the nature and quality of the product.

        The production of soya peptone was studied for their importance in the process of preparing and producing the culture media used in medical and microbiological laboratories.

      The process of production of soya peptone includes four main

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Publication Date
Fri Mar 08 2024
Journal Name
Applied System Innovation
Adaptive Active Disturbance Rejection Control for Vehicle Steer-by-Wire under Communication Time Delays
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In this paper, an adaptive active disturbance rejection control is newly designed for precise angular steering position tracking of the uncertain and nonlinear SBW system with time delay communications. The proposed adaptive active disturbance rejection control comprises the following two elements: (1) An adaptive extended state observer and (2) an adaptive state error feedback controller. The adaptive extended state observer with adaptive gains is employed for estimating the unmeasured velocity, acceleration, and compound disturbance which consists of system parameter uncertainties, nonlinearities, exterior disturbances, and time delay in which the observer gains are dynamically adjusted based on the estimation error to enhance est

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Publication Date
Sat Mar 01 2025
Journal Name
Journal Of Ecological Engineering
Synthesis of sulfated zirconia-HY zeolite catalysts doped by platinum metal for hydroisomerization reaction
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Publication Date
Wed Jul 20 2022
Journal Name
Journal Of Materials Engineering And Performance
High Speed Shock Peening by Fiber Laser for Al Alloy 6061-T6 Thin Sheets
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Under cyclic loading, aluminum alloys exhibit less fatigue life than steel alloys of similar strength and this is considered as Achilles's heel of such alloys. A nanosecond fiber laser was used to apply high speed laser shock peening process on thin aluminum plates in order to enhance the fatigue life by introducing compressive residual stresses. The effect of three working parameters namely the pulse repetition rate (PRR), spot size (ω) and scanning speed (v) on limiting the fatigue failure was investigated. The optimum results, represented by the longer fatigue life, were at PRR of 22.5 kHz, ω of 0.04 mm and at both v's of 200 and 500 mm/sec. The research yielded significant results represented by a maximum percentage increase in the fa

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Publication Date
Wed Dec 20 2017
Journal Name
New Visions In Plant Science
Improving Nitrogen and Phosphorus Efficiency for Optimal Plant Growth and Yield
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Nitrogen (N) and phosphorus (P) are the most important nutrients for crop production. The N contributes to the structural component, generic, and metabolic compounds in a plant cell. N is mainly an essential part of chlorophyll, the compound in the plants that is responsible for photosynthesis process. The plant can get its available nitrogen from the soil by mineralizing organic materials, fixed-N by bacteria, and nitrogen can be released from plant as residue decay. Soil minerals do not release an enough amount of nitrogen to support plant; therefore, fertilizing is necessary for high production. Phosphorous contributes in the complex of the nucleic acid structure of plants. The nucleic acid is essential in protein synthesis regulation; t

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Publication Date
Wed Jan 01 2020
Journal Name
Arab Journal Of Basic And Applied Sciences
Analytic and numerical solutions for linear and nonlinear multidimensional wave equations
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Publication Date
Wed Jan 24 2018
Journal Name
Iraqi Journal Of Market Research And Consumer Protection
FOOD APPLICATIONS FOR OIL AND CHIA SEEDS SALVIA HISPANICA: FOOD APPLICATIONS FOR OIL AND CHIA SEEDS SALVIA HISPANICA
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The extracted oil from the Chia seeds white and black were used in the manufacture of certain foods such as mayonnaise. The results of the sensory evaluation showed that the product was acceptable except for the flavor of white chia seed oil. The seeds were fully used in the manufacture of the nutella. The results of the sensory evaluation were encouraging the use of the extracted oil from the black chia seeds in the production of the nutella except the spread property. Chia seeds were also used in the manufacture of pudding. The results of the sensory evaluation showed an excellent and acceptable product of black chia seeds oil can be obtained, while the white seeds did not receive the acceptance in terms of color and flavor.

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