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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 Aug 26 2020
Journal Name
Journal Of Engineering
Groundwater Simulation and Wells Distribution at Qazaniyah City in Diyala Governorate
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In recent years, there is more interest in water sources availability, including groundwater due to an increase in demand for water because of the increasing population in the world, and the water recedes due to climate change also. Therefore, the study of groundwater has required more attention. The aim of the present study is to establish a MODFLOW model in the groundwater modeling system software to simulate the movement of groundwater in the Turssaq alluvial fan which is located in the Qazaniyah city, east of Diyala Governorate. The solid model was used to define the aquifer in the study area. Using the GIS software, mapping and preparing the data needed to create a conceptual model were carried out. The data of the

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Publication Date
Thu Nov 29 2018
Journal Name
Iraqi Journal Of Science
On Soft LC-Spaces and Weak Forms of Soft LC-Spaces
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The main purpose of this article is to study the soft LC-spaces as soft spaces in which every soft Lindelöf subset of  is soft closed. Also, we study the weak  forms of soft LC-spaces and we discussed their relationships with soft LC-spaces as well as among themselves.

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Publication Date
Wed May 24 2023
Journal Name
College Of Islamic Sciences
Analyzing the likeness of fundamentalists and examples of its jurisprudential applications
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The new events in every era are endless, and it is not required of the legal texts to pursue each event by itself and attach to it its ruling.
At the same time, every event or action must have a Shari’a ruling according to the wise Lawgiver, and our scholars have noted this in every event presented to them. ...etc.
It is well known that reaching the legal ruling on a matter, by examining the detailed evidence, is subject to following the path of the rules and regulations specific to the overall evidence, which we organize on the basis of the principles of jurisprudence.
Therefore, any disagreement about the manner or content of these rules will have an impact on the difference of jurists in partial issues, when examining the d

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Publication Date
Tue Mar 30 2010
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Separation of Bovine Serum Albumin Using Chromatographical Column: Parameters and Simulation
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A liquid-solid chromatography of Bovine Serum Albumin (BSA) on (diethylaminoethyl-cellulose) DEAE-cellulose adsorbent is worked experimentally, to study the effect of changing the influent concentration of (0.125, 0.25, 0.5, and 1 mg/ml) at constant volumetric flow rate Q=1ml/min. And the effect of changing the volumetric flow rate (1, 3, 5, and 10 ml/min) at constant influent concentration of Co=0.125mg/ml. By using a glass column of (1.5cm) I.D and (50cm) length, packed with adsorbent of DEAE-cellulose of height (7cm). The influent is introduced in to the column using peristaltic pump and the effluent concentration is investigated using UV-spectrophotometer at 30oC and 280nm wavelength. A spread (steeper) break-through curve is gained

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Publication Date
Tue May 01 2012
Journal Name
Iraqi Journal Of Physics
Detection of line shape parameters in normal and abnormal biological tissues
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Doppler broadening technique is suggested to monitor the development of tumours. It depends on the sensitivity of positronium (Ps) annihilation parameters to the sub- microstructural changes in biological tissues. This technique uses high resolution HpGe detector to measure the lineshape parameters (S and W) in normal mice's mammary tissues and adenocarcinoma mammary tissues as a function of tumour growth. The results demonstrate that the central parameter (S) decreases and the wing parameter (W) increases as the tumour grow. It is found that the S parameter changes considerably with the distribution of voids which are affected by the tumour development. Therefore the present technique can successfully be employed to monitor the developm

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Publication Date
Mon Jan 02 2017
Journal Name
Al-academy
Style and the jump in industrial product design - a comparative study
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Find cares studying ways in the development of industrial products and designs: the way the progressive development (how typical) and root development (jump design), was the aim of the research: to determine the effectiveness of the pattern and the jump in the development of designs and industrial products. After a process of analysis of a sample of research and two models of contemporary household electrical appliances, it was reached a set of findings and conclusions including:1-leaping designs changed a lot of entrenched perceptions of the user on how the product works and its use and the size and shape of the product, revealing him about the possibilities of sophisticated relationships with the product, while keeping the typical desi

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Publication Date
Wed Apr 25 2018
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Quasi-inner product spaces of quasi-Sobolev spaces and their completeness
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      Sequences spaces  , m  ,  p  have called quasi-Sobolev spaces were  introduced   by Jawad . K. Al-Delfi in 2013  [1]. In this  paper , we deal with notion of  quasi-inner product  space  by using concept of  quasi-normed  space which is generalized  to normed space and given a  relationship  between  pre-Hilbert space and a  quasi-inner product space with important  results   and   examples.  Completeness properties in quasi-inner   product space gives  us  concept of  quasi-Hilbert space .  We show  that ,  not  all  quasi-Sobolev spa

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Publication Date
Sun Dec 01 2013
Journal Name
Baghdad Science Journal
Effect of Pregnancy on Selenium, Cupper ,Zinc and Others Biochemical Feacture
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Pregnancy is a stressful condition in which many physiological and metabolic functions are altered to a considerable extent . Pregnancy is a physiological state accompanied by a high-energy demand and an increased oxygen requirement. The present study aim to study selenium ,zinc cupper in the first trimester of pregnancy. The study group comprised of Fourty five pregnant women and twenty six non pregnant women as control . The samples were taken from pregnant women who come to several heath center in Baghdad city to cheak up. Laboratory investigations including Cupper, Ceruloplasmin, Total Antioxidant (TAA), malondialdehyde (MDA), glutathione (GSH), Zinc, Uric acid, and Selenium had been measured in pregnant women and control . Th

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Publication Date
Wed Dec 30 2015
Journal Name
College Of Islamic Sciences
Poor impurity in the right of the patient and the elderly
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Poor impurity in the right of the patient and the elderly

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Publication Date
Sun Dec 07 2008
Journal Name
Baghdad Science Journal
Prepared (PbS) Thin Film Doped with (Cu) and Study Structure Properties
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In this research PbS and PbS:Cu films were prepered with thicknesses (0.85±0.05)?m and (0.55±0.5)?m deposit on glass and silicon substrate respectively using chemical spray pyrolysis technique with a substrate temperature 573K, from lead nitrate salt, thiourea and copper chloride. Using XRD we study the structure properties for the undoped and doped films with copper .The analysis reveals that the structure of films were cubic polycrystalline FCC with a preferred orientation along (200) plane for the undoped films and 1% doping with copper but the orientation of (111) plane is preferred with 5% doping with the rest new peaks of films and appeared because of doping. Surface topography using optical microscope were be checked, it was found

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