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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 Apr 28 2023
Journal Name
Mathematical Modelling Of Engineering Problems
Design Optimal Neural Network for Solving Unsteady State Confined Aquifer Problem
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Publication Date
Sun Feb 03 2019
Journal Name
Iraqi Journal Of Physics
Compressive strength measurement for cement replacement with recycled glass in concrete
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The most important environmental constraints at the present time
is the accumulation of glass waste (transparent glass bottles). A lot of
experiments and research have been made on waste and recycling
glass to get use it as much as possible. This research using recycling
of locally waste colorless glass to turn them into raw materials as
alternative of certain percentages of cement to save the environment
from glass waste and reduce some of the disadvantages of cement
with conserving the mechanical and physical properties of concrete
made. A set of required samples were prepared for mechanical test
with different weight percentage of waste glass (2%, 4%, 5%, 6%,
8%, 10%, 15%, 20% and 25%). American standard

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Publication Date
Tue Jan 08 2019
Journal Name
Iraqi Journal Of Physics
Enhancement of vanadium oxide doped Eu+3 for gas sensor application
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Thin films of vanadium oxide nanoparticles doped with different concentrations of europium oxide (2, 4, 6, and 8) wt % are deposited on glass and Si substrates with orientation (111) utilizing by pulsed laser deposition technique using Nd:YAG laser that has a wavelength of 1064 nm, average frequency of 6 Hz and pulse duration of 10 ns. The films were annealed in air at 300 °C for two hours, then the structural, morphological and optical properties are characterized using x-ray diffraction (XRD), Field emission scanning electron microscopy (FESEM) and UV-Vis spectroscopy respectively. The X-ray diffraction results of V2O5:Eu2O3 exhibit that the film has apolycrystalline monoclinic V2O5 and triclinic V4O7 phases. The FESEM image shows a h

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Publication Date
Thu Mar 30 2017
Journal Name
Iraqi Journal Of Pharmaceutical Sciences ( P-issn 1683 - 3597 E-issn 2521 - 3512)
In Situ Gelling Formulation of Naproxen for Oral Sustained Delivery System
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Naproxen is non-steroidal anti-inflammatory drug, which has antipyretic and anti-inflammatory effect. It is extensively bound to plasma albumin, and exhibits gastric toxicity, so it may be more efficient to deliver the drug in its sustained release dosage form and adequate blood level is achieved. Three liquid formulations with in situ gelling properties have been assessed for their potential for the oral sustained delivery of naproxen . The formulations were dilute solutions of: (a) pectin; (b) gellan gum and; (c) sodium alginate, all containing complexed calcium ion that form gels when these ions are released in the acidic environment of the stomach . The viscosity of the sols and drug release were measured, and was found to be depende

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Publication Date
Sun Jul 30 2023
Journal Name
Iraqi Journal Of Science
Paradigm Shift Towards Federated Learning for COVID-19 Detection: A Survey
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     The novel coronavirus 2019 (COVID-19) is a respiratory syndrome with similar traits to common pneumonia. This major pandemic has affected nations both socially and economically, disturbing everyday life and urging the scientific community to develop solutions for the diagnosis and prevention of COVID-19. Reverse transcriptase-polymerase chain reaction (RT–PCR) is the conventional approach used for detecting COVID-19. Nevertheless, the initial stage of the infection is less predictable in PCR tests, making early prediction challenging. A robust and alternative diagnostic method based on digital computerised technologies to support conventional methods would greatly help society. Therefore, this paper reviews recent research bas

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Publication Date
Tue Jan 12 2016
Journal Name
Wireless Networks
Low communication cost (LCC) scheme for localizing mobile wireless sensor networks
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In recent years, the number of applications utilizing mobile wireless sensor networks (WSNs) has increased, with the intent of localization for the purposes of monitoring and obtaining data from hazardous areas. Location of the event is very critical in WSN, as sensing data is almost meaningless without the location information. In this paper, two Monte Carlo based localization schemes termed MCL and MSL* are studied. MCL obtains its location through anchor nodes whereas MSL* uses both anchor nodes and normal nodes. The use of normal nodes would increase accuracy and reduce dependency on anchor nodes, but increases communication costs. For this reason, we introduce a new approach called low communication cost schemes to reduce communication

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Publication Date
Sat May 30 2020
Journal Name
Neuroquantology
Comparative Study for Optoelectronic Properties of Zn (Te, Se) Solar Cells
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Publication Date
Mon May 31 2021
Journal Name
Iraqi Journal Of Science
Multi-criteria Decision Making on the Best Drug for Rheumatoid Arthritis
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The theory of Multi-Criteria Decision Making (MCDM) was introduced in the second half of the twentieth century and aids the decision maker to resolve problems when interacting criteria are involved and need to be evaluated.  In this paper, we apply MCDM on the problem of the best drug for rheumatoid arthritis disease. Then, we solve the MCDM problem via -Sugeno measure and the Choquet integral to provide realistic values in the process of selecting the most appropriate drug. The approach confirms the proper interpretation of multi-criteria decision making in the drug ranking for rheumatoid arthritis.

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Publication Date
Tue Sep 08 2020
Journal Name
Baghdad Science Journal
A Comparison Between Two Shape Parameters Estimators for (Burr-XII) Distribution
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This paper deals with defining Burr-XII, and how to obtain its p.d.f., and CDF, since this distribution is one of failure distribution which is compound distribution from two failure models which are Gamma model and weibull model. Some equipment may have many important parts and the probability distributions representing which may be of different types, so found that Burr by its different compound formulas is the best model to be studied, and estimated its parameter to compute the mean time to failure rate. Here Burr-XII rather than other models is consider  because it is used to model a wide variety of phenomena including crop prices, household income, option market price distributions, risk and travel time. It has two shape-parame

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Publication Date
Sun Jan 01 2017
Journal Name
Optics & Laser Technology
Finite element thermal analysis for PMMA/st.st.304 laser direct joining
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This work is concerned with building a three-dimensional (3D) ab-initio models that is capable of predicting the thermal distribution of laser direct joining processes between Polymethylmethacrylate (PMMA) and stainless steel 304(st.st.304). ANSYS® simulation based on finite element analysis (FEA) was implemented for materials joining in two modes; laser transmission joining (LTJ) and conduction joining (CJ). ANSYS® simulator was used to explore the thermal environment of the joints during joining (heating time) and after joining (cooling time). For both modes, the investigation is carried out when the laser spot is at the middle of the joint width, at 15 mm from the commencement point (joint edge) at traveling time of 3.75 s. Process par

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