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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
Thu Apr 09 2020
Journal Name
Optoelectronics And Advanced Materials – Rapid Communications
Facile synthesis of Cu2FeSnSe4 nanoparticles for solar energy water splitting
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Well-dispersed Cu2FeSnSe4 (CFTSe) nanoparticles were first synthesized using the hot-injection method. The structure and phase purity of as-synthesized CFTSe nanoparticles were examined by X-ray diffraction (XRD) and Raman spectroscopy. Their morphological properties were characterized by scanning electron microscopy (SEM) and transmission electron microscopy (TEM). The average particle sizes of the nanoparticles were about 7-10 nm. The band gap of the as-synthesized CFTS nanoparticles was determined to be about 1.15 eV by ultraviolet-visible (UV-Vis) spectrophotometry. Photoelectrochemical characteristics of CFTSe nanoparticles were also studied, which indicated their potential application in solar energy water splitting.

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Publication Date
Wed Feb 01 2023
Journal Name
International Journal Of Electrical And Computer Engineering (ijece)
Optimized Kalman filters for sensorless vector control induction motor drives
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<span lang="EN-US">This paper presents the comparison between optimized unscented Kalman filter (UKF) and optimized extended Kalman filter (EKF) for sensorless direct field orientation control induction motor (DFOCIM) drive. The high performance of UKF and EKF depends on the accurate selection of state and noise covariance matrices. For this goal, multi objective function genetic algorithm is used to find the optimal values of state and noise covariance matrices. The main objectives of genetic algorithm to be minimized are the mean square errors (MSE) between actual and estimation of speed, current, and flux. Simulation results show the optimal state and noise covariance matrices can improve the estimation of speed, current, t

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Publication Date
Wed Nov 28 2018
Journal Name
International Journal Of Engineering &amp; Technology
Modified Strut Effectiveness Factor for FRP-Reinforced Concrete Deep Beams
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A few examinations have endeavored to assess a definitive shear quality of a fiber fortified polymer (FRP)- strengthened solid shallow shafts. Be that as it may, need data announced for examining the solid profound pillars strengthened with FRP bars. The majority of these investigations don't think about the blend of the rigidity of both FRP support and cement. This examination builds up a basic swagger adequacy factor model to evaluate the referenced issue. Two sorts of disappointment modes; concrete part and pulverizing disappointment modes were examined. Protection from corner to corner part is chiefly given by the longitudinal FRP support, steel shear fortification, and cement rigidity. The proposed model has been confirmed util

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Publication Date
Sat Feb 01 2020
Journal Name
International Journal Of Computer Science And Mobile Computing
Hierarchical Fixed Prediction of Mixed based for Medical Image Compression.
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Publication Date
Sun Jul 31 2022
Journal Name
Iraqi Geological Journal
A Review of Historical Studies for Water Saturation Determination Techniques
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Water saturation is the most significant characteristic for reservoir characterization in order to assess oil reserves; this paper reviewed the concepts and applications of both classic and new approaches to determine water saturation. so, this work guides the reader to realize and distinguish between various strategies to obtain an appropriate water saturation value from electrical logging in both resistivity and dielectric has been studied, and the most well-known models in clean and shaly formation have been demonstrated. The Nuclear Magnetic Resonance in conventional and nonconventional reservoirs has been reviewed and understood as the major feature of this approach to estimate Water Saturation based on T2 distribution. Artific

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Publication Date
Sun Sep 30 2018
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Permeability Estimation for Carbonate Reservoir (Case Study/ South Iraqi Field)
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   The heterogeneity nature of carbonate reservoirs shows sever scattering of the data, therefore, one has to be cautious in using the permeability- porosity correlation for calculating permeability unless a good correlation coefficient is available. In addition, a permeability- porosity correlation technique is not enough by itself since simulation studies also require more accurate tools for reservoir description and diagnosis of flow and non-flow units.

Evaluation of reservoir characterization  was conducted by this paper for Mishrif Formation in south Iraqi oil field (heterogeneous carbonate reservoir), namely the permeability-porosity correlation, the hydraulic units (HU’s) an

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Publication Date
Thu Jun 16 2022
Journal Name
Clean Technologies
Performance Evaluation of Roughened Solar Air Heaters for Stretched Parameters
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Publication Date
Sun Nov 01 2020
Journal Name
Travel Medicine And Infectious Disease
Incidence of the COVID-19 in Iraq – Implications for travellers
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Publication Date
Fri Jun 01 2018
Journal Name
Journal Of Engineering
Determination of Best Location for Elevated Tank in Branched Network
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The research focuses on determination of best location of high elevated tank using the required head of pump as a measure for this purpose. Five types of network were used to find the effect of the variation in the discharge and the node elevation on the best location. The most weakness point was determined for each network. Preliminary tank locations were chosen for test along the primary pipe with same interval distance. For each location, the water elevation in tank and pump head was calculated at each hour depending on the pump head that required to achieve the minimum pressure at the most weakness point. Then, the sum of pump heads through the day was determined. The results proved that there is a most economical lo

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Publication Date
Mon May 22 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Some Robust Tests for the Correlation Coefficient: A Comparative Study
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This paper is Interested with studying the performance of statistic test the hypothesis of independence of the two variables (the hypothesis that there is no correlation between the variables under study) in the case of data to meet the requirement of normal distribution in the case away from the distribution due to the presence of outliers (contaminated values) and compared with the performance of some of the other methods proposed and modified

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