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Exploring the Potential of Quantum Chemical Calculations for Synthesized Quinazoline Derivatives as Superior Corrosion Inhibitors in Acidic Environment
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Hydrochloric acid (HCl) is a substance that is frequently utilized in industrial operations for important tasks such as chemical cleaning and pickling metallic surfaces.Therefore, the corrosion inhibition ability of three newly synthesized quinazoline derivatives namely, 3-allyl-2-(propylthio) quinazolin-4(3H)-one) (APQ), (3-allyl-2-(allylthio) quinazolin-4(3H)-one) (AAQ), (3-allyl- 2-( Prop -2-yn -1-ylthio) Quinazolin - 4 (3H) - one) (AYQ) were theoretically determined and these compounds were characterized using Fourier Transform Infra-Red (FTIR) and 1H and 13C Nuclear Magnetic Resonance (NMR) spectroscopic. A series of quantum chemical properties of these derivatives: EHOMO, ELUMO, energy gap (ΔE),dipole moment (μ), hardness (η), softness (Ϭ), absolute electronegativity (χ), fractions for electron transferred (ΔN), the ionization potential (I), (TE) and total energy were calculated. The obtained results of all quinazoline derivatives (APQ,AAQ,andAYQ) show almost the same corrosion inhibition with excellent efficiency. Density function theory (DFT) was used to investigate the relationship between the molecular structures and inhibitory efficacies of three quinazoline derivatives. The results of the analysis and measurement of Egap values revealed that the compound AYQ had a modest Egap of 4.999 eV and that strong values of Egap suggest that it will be easier to remove one electron from the HOMO orbital and deposit it in the LUMO orbital

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Publication Date
Thu Jun 01 2023
Journal Name
International Journal Of Electrical And Computer Engineering (ijece)
An optimized deep learning model for optical character recognition applications
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The convolutional neural networks (CNN) are among the most utilized neural networks in various applications, including deep learning. In recent years, the continuing extension of CNN into increasingly complicated domains has made its training process more difficult. Thus, researchers adopted optimized hybrid algorithms to address this problem. In this work, a novel chaotic black hole algorithm-based approach was created for the training of CNN to optimize its performance via avoidance of entrapment in the local minima. The logistic chaotic map was used to initialize the population instead of using the uniform distribution. The proposed training algorithm was developed based on a specific benchmark problem for optical character recog

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Publication Date
Wed May 01 2024
Journal Name
Scientific Visualization
Shadow Detection and Elimination for Robot and Machine Vision Applications
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Shadow removal is crucial for robot and machine vision as the accuracy of object detection is greatly influenced by the uncertainty and ambiguity of the visual scene. In this paper, we introduce a new algorithm for shadow detection and removal based on different shapes, orientations, and spatial extents of Gaussian equations. Here, the contrast information of the visual scene is utilized for shadow detection and removal through five consecutive processing stages. In the first stage, contrast filtering is performed to obtain the contrast information of the image. The second stage involves a normalization process that suppresses noise and generates a balanced intensity at a specific position compared to the neighboring intensit

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Publication Date
Fri Apr 01 2022
Journal Name
Baghdad Science Journal
Improved Firefly Algorithm with Variable Neighborhood Search for Data Clustering
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Among the metaheuristic algorithms, population-based algorithms are an explorative search algorithm superior to the local search algorithm in terms of exploring the search space to find globally optimal solutions. However, the primary downside of such algorithms is their low exploitative capability, which prevents the expansion of the search space neighborhood for more optimal solutions. The firefly algorithm (FA) is a population-based algorithm that has been widely used in clustering problems. However, FA is limited in terms of its premature convergence when no neighborhood search strategies are employed to improve the quality of clustering solutions in the neighborhood region and exploring the global regions in the search space. On the

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Publication Date
Tue Dec 01 2015
Journal Name
Chemical Engineering Science
Airlift bioreactor for biological applications with microbubble mediated transport processes
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Publication Date
Thu Feb 28 2019
Journal Name
Journal Of Engineering
Activated Bentonite for Removal Nickle and Vanadium from Petroleum Distillates
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The present work is to investigate the feasibility of removal vanadium (V) and nickel (Ni) from Iraqi heavy gas oil using activated bentonite. Different operating parameters such as the degree of bentonite activation, activated bentonite loading, and operating time was investigated on the effect of heavy metal removal efficiency. Experimental results of adsorption test show that Langmuir isotherm predicts well the experimental data and the maximum bentonite uptake of vanadium was 30 mg/g. The bentonite activated with 50 wt% H2SO4 shows a (75%) removal for both Ni and V. Results indicated that within approximately 5 hrs, the vanadium removal efficiencies were 33, 45, and 60% at vanadium loadings of 1

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Publication Date
Thu Sep 01 2016
Journal Name
Journal Of Engineering
Sliding Mode Vibration Suppression Control Design for a Smart Beam
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Active vibration control is the main problem in different structure. Smart material like piezoelectric make a structure smart, adaptive and self-controlling so, they are effective in active vibration control. In this paper piezoelectric elements are used as sensors and actuators in flexible structures for sensing and actuating purposes, and to control the vibration of a cantilever beam by using sliding mode control. The sliding mode controller (SMC) is designed to attenuate the vibration induced by initial tip displacement which is equal to 15 mm.  It is designed based on the balance realization reduction method where three states are selected for the reduced model from the 24th states that describe the c

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Publication Date
Sat Jul 01 2017
Journal Name
Energy Procedia
Epoxy/Silicone Rubber Blends for Voltage Insulators and Capacitors Applications
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Publication Date
Thu Aug 01 2024
Journal Name
Smart Agricultural Technology
Smart fertilizer technologies: An environmental impact assessment for sustainable agriculture
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The global food supply heavily depends on utilizing fertilizers to meet production goals. The adverse impacts of traditional fertilization practices on the environment have necessitated the exploration of new alternatives in the form of smart fertilizer technologies (SFTs). This review seeks to categorize SFTs, which are slow and controlled-release Fertilizers (SCRFs), nano fertilizers, and biological fertilizers, and describes their operational principles. It examines the environmental implications of conventional fertilizers and outlines the attributes of SFTs that effectively address these concerns. The findings demonstrate a pronounced environmental advantage of SFTs, including enhanced crop yields, minimized nutrient loss, improved nut

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Publication Date
Thu Mar 01 2012
Journal Name
Journal Of Economics And Administrative Sciences
Nadaraya-Watson Estimator a Smoothing Technique for Estimating Regression Function
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    The using of the parametric models and the subsequent estimation methods require the presence of many of the primary conditions to be met by those models to represent the population under study adequately, these prompting researchers to search for more flexible models of parametric models and these models were nonparametric models.

    In this manuscript were compared to the so-called Nadaraya-Watson estimator in two cases (use of fixed bandwidth and variable) through simulation with different models and samples sizes.  Through simulation experiments and the results showed that for the first and second models preferred NW with fixed bandwidth fo

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Publication Date
Fri May 02 2014
Journal Name
Remote Sensing
Calibrated Full-Waveform Airborne Laser Scanning for 3D Object Segmentation
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Segmentation of urban features is considered a major research challenge in the fields of photogrammetry and remote sensing. However, the dense datasets now readily available through airborne laser scanning (ALS) offer increased potential for 3D object segmentation. Such potential is further augmented by the availability of full-waveform (FWF) ALS data. FWF ALS has demonstrated enhanced performance in segmentation and classification through the additional physical observables which can be provided alongside standard geometric information. However, use of FWF information is not recommended without prior radiometric calibration, taking into account all parameters affecting the backscatter energy. This paper reports the implementation o

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