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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 15 2025
Journal Name
Journal Of Economics And Administrative Sciences
Formulating a strategy for the Northern Oil Company(Case Study)
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يهدف البحث الى تقديم استراتيجية مقترحة لشركة نفط الشمال ، وأخذت الاستراتيجية المقترحة بنظر الاعتبار الظروف البيئية المحيطة واعتمدت في صياغتها على اسس وخطوات علمية تتسم بالشمولية والواقعية ، اذ انها غطت الانشطة الرئيسية في الشركة (نشاط الانتاج والاستكشاف , نشاط التكرير والتصفية , التصدير ونقل النفط , نشاط البحث والتطوير , النشاط المالي , تقنية المعلومات , الموارد البشرية ) وقد اعتمد نموذج (David) في التحليل البيئي

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Publication Date
Tue Jan 30 2024
Journal Name
Iraqi Journal Of Science
ECC Based Encryption for the Secured Proactive Network Forensic Framework
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     Elliptic Curve Cryptography (ECC) is one of the public key cryptosystems that works based on the algebraic models in the form of elliptic curves. Usually, in ECC to implement the encryption, the encoding of data must be carried out on the elliptic curve, which seems to be a preprocessing step. Similarly, after the decryption a post processing step must be conducted for mapping or decoding the corresponding data to the exact point on the elliptic curves. The Memory Mapping (MM) and Koblitz Encoding (KE) are the commonly used encoding models. But both encoding models have drawbacks as the MM needs more memory for processing and the KE needs more computational resources. To overcome these issues the proposed enhanced Koblitz encodi

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Publication Date
Sat Dec 01 2018
Journal Name
Ain Shams Engineering Journal
A semi-analytical iterative method for solving differential algebraic equations
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Publication Date
Sat Jan 01 2011
Journal Name
International Journal Of Computer Theory And Engineering
MIPOG - An Efficient t-Way Minimization Strategy for Combinatorial Testing
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Publication Date
Tue Aug 01 2023
Journal Name
Baghdad Science Journal
Mathematical Models Used for Brachytherapy Treatment Planning Dose Calculation Algorithms
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Brachytherapy treatment is primarily used for the certain handling kinds of cancerous tumors. Using radionuclides for the study of tumors has been studied for a very long time, but the introduction of mathematical models or radiobiological models has made treatment planning easy. Using mathematical models helps to compute the survival probabilities of irradiated tissues and cancer cells. With the expansion of using HDR-High dose rate Brachytherapy and LDR-low dose rate Brachytherapy for the treatment of cancer, it requires fractionated does treatment plan to irradiate the tumor. In this paper, authors have discussed dose calculation algorithms that are used in Brachytherapy treatment planning. Precise and less time-consuming calculations

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Publication Date
Tue Sep 01 2020
Journal Name
Al-khwarizmi Engineering Journal
Arduino-Based Controller for Sequence Development of Automated Manufacturing System
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It has become necessary to change from a traditional system to an automated system in production processes, because it has high advantages. The most important of them is improving and increasing production. But there is still a need to improve and develop the work of these systems. The objective of this work is to study time reduction by combining multiple sequences of operations into one process. To carry out this work, the pneumatic system is designed to decrease\ increase the time of the sequence that performs a pick and place process through optimizing the sequences based on the obstacle dimensions. Three axes are represented using pneumatic cylinders that move according to the sequence used. The system is implemented and

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Publication Date
Fri Jan 01 2016
Journal Name
Results In Physics
An efficient iterative method for solving the Fokker–Planck equation
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Publication Date
Sat May 01 2021
Journal Name
Journal Of Physics: Conference Series
A Parallel Adaptive Genetic Algorithm for Job Shop Scheduling Problem
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Publication Date
Tue Mar 20 2018
Journal Name
Offshore Technology Conference Asia
Prediction of Hydrate Phase Equilibrium Conditions for Different Gas Mixtures
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Abstract<p>Gas hydrate formation poses a significant threat to the production, processing, and transportation of natural gas. Accurate predictions of gas hydrate equilibrium conditions are essential for designing the gas production systems at safe operating conditions and mitigating the problems caused by hydrates formation. A new hydrate correlation for predicting gas hydrate equilibrium conditions was obtained for different gas mixtures containing methane, nitrogen and carbon dioxide. The new correlation is proposed for a pressure range of 1.7-330 MPa, a temperature range of 273-320 K, and for gas mixtures with specific gravity range of 0.553 to 1. The nonlinear regression technique was applie</p> ... Show More
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Publication Date
Thu Dec 29 2016
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Explicit Finite Difference Approximation for the TwoDimensional Fractional Dispersion Equation
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  In this paper, we introduce and discuss an algorithm for the numerical solution of two- dimensional fractional dispersion equation.  The algorithm for the numerical solution of this equation is based on explicit finite difference approximation. Consistency, conditional stability, and convergence of this numerical method are described. Finally, numerical example is presented to show the dispersion behavior according to the order of the fractional derivative and we demonstrate that our explicit finite difference approximation is a computationally efficient method for solving two-dimensional fractional dispersion equation

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