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Hydrodesulfurization of Thiophene over $γ$-Mo2N catalyst
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Catalytic removal of the S-content from thiophene is a central step in efforts aiming to reduce the environmental burdens of transportation fuels. In this contribution, we investigate the hydrodesulfurization (HDS) mechanisms of thiophene (C4H4S) over γ-Mo2N catalyst by means of density functional theory (DFT) calculations. The thiophene molecule preferentially adsorbs in a flat mode over 3-fold fcc nitrogen hollow sites. The HDS mechanism may potentially proceed either unimolecularly (direct desulfurization) or via H-assisted reactions (hydrogenation). Due to a sizable activation barrier required for the first Csingle bondS bond scission of 54.6 kcal/mol, we predict that the direct desulfurization to contribute rather very insignificantly in the HDS mechanism. Transfer of adsorbed hydrogen atoms on the γ-Mo2N surface to the thiophene ring substantially reduces activation barrier required in the Csingle bondS bond scission to only 24.1 kcal/mol in a process that affords an adsorbed C4H6* species and an S atom. Further hydrogenation of the unsaturated C4H6* produces 2-butene. Kinetics and thermodynamics attributes dictate the occurrence of partial rather than full hydrogenation of C4H6*. Calculated rate constants for all individual steps could be utilized to construct a robust kinetic model for the overall HDS process. Estimated conversion values of thiophene predict 50–70% consumption of thiophene at 700 K and low values of gas hourly space velocities. Reaction routes and kinetic parameters provided herein are useful to design stand-alone γ-Mo2N-based catalysts for applications entailing partial hydrogenation and hydrodesulfurization of severely contaminated S-fuels.

Publication Date
Sun Jun 07 2015
Journal Name
Baghdad Science Journal
Spectrophotometric Determination of Paracetamol in bulk and Pharmaceutical Preparations
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A simple, and rapid spectrophotometric method for the estimation of paracetamol has been developed. The methods is based on diazotisation of 2,4-dichloroaniline followed by a coupling reaction with paracetamol in sodium hydroxide medium. All variables affecting the reaction conditions were carefully studied. Beer's law is obeyed in the concentration range of 4-350 ?gml?1 at 490 nm .The method is successfully employed for the determination of paracetamol in pharmaceutical preparations. No interferes observed in the proposed method. Analytical parameters such as accuracy and precision have been established for the method and evaluated statistically to assess the application of the method.

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Publication Date
Sat Jan 01 2022
Journal Name
Open Engineering
Geotechnical correlations of soil properties in Hilla City – Iraq
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Abstract<p>In this research, the geotechnical properties of the soil profile in Hilla city within Babylon Governorate in the middle parts of Iraq are described. The geotechnical data at the specific sites were collected from some geotechnical investigation reports performed at some selected locations. This article is devoted to studying the distribution of soil properties (the physical and mechanical) in the horizontal and vertical directions. Moreover, a correlation between different physical and mechanical properties is performed. The correlation is executed using statistical analysis by Microsoft Excel Software (2016). From the regression results, it was found that the nature of the soil is c</p> ... Show More
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Publication Date
Tue Oct 12 2021
Journal Name
Engineering, Technology &amp; Applied Science Research
Production of Light Weight Foam Concrete with Sustainable Materials
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Most of the recent works related to the construction industry in Iraq are focused on investigating the validity of local raw materials as alternatives to the imported materials necessary for some practical applications, especially in thermal and sound insulation. This investigation includes the use of limestone dust as partial substitution of cement in combination with foam agent and silica fume to produce sustainable Lightweight Foam Concrete (LWFC). This study consists of two stages. In the first stage, trial mixes were performed to find the optimum dosage of foam agent. Limestone dust was used as a partial replacement for cement. Chemical analysis and fineness showed great similarity with cement. Many concrete mixes were prepared

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Publication Date
Mon Oct 01 2018
Journal Name
Iraqi Journal Of Physics
The effect of gold nanoparticles on WO3 thin film
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Chemical spray pyrolysis technique was used at substrate temperature 250 ˚C with annealing temperature at 400 ˚C (for 1hour) to deposition tungsten oxide thin film with different doping concentration of Au nanoparticle (0, 10, 20, 30 and 40)% wt. on glass substrate with thickness about 100 nm. The structural, optical properties were investigated. The X-ray diffraction shows that the films at substrate temperature (250 ˚C) was amorphous while at annealing temperature have a polycrystalline structure with the preferred orientation of (200), all the samples have a hexagonal structure for WO3 and Au gold nanoparticles have a cubic structure. Atomic force microscopy (AFM) was used to characterize the morphology of the films. The optical pr

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Publication Date
Mon Feb 04 2019
Journal Name
Iraqi Journal Of Physics
Frequency analyses of human voice using fast Fourier transform
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Quantitative analysis of human voice has been subject of interest and the subject gained momentum when human voice was identified as a modality for human authentication and identification. The main organ responsible for production of sound is larynx and the structure of larynx along with its physical properties and modes of vibration determine the nature and quality of sound produced. There has been lot of work from the point of view of fundamental frequency of sound and its characteristics. With the introduction of additional applications of human voice interest grew in other characteristics of sound and possibility of extracting useful features from human voice. We conducted a study using Fast Fourier Transform (FFT) technique to analy

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Publication Date
Wed Feb 01 2023
Journal Name
Baghdad Science Journal
Revision of some Biomarkers with Cytokines in Breast Cancer
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Breast cancer is the most repeatedly detected cancer category and the second reason cause of cancer-linked deaths among women worldwide. Tumor bio-indictor is a term utilized to describe possible indicators for carcinoma diagnosis, development and progression. The goal of this study is to evaluate part of some cytokines and biomarkers for both serum and saliva samples in breast cancer then estimate their potential value in the early diagnosis of breast cancer by doing more researches in saliva, and utilizing saliva instead of blood (serum and plasma) in sample collection from patients. Serum and salivary samples were taken from 72 patients with breast cancer and 45 healthy controls, in order to investigate the following

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Publication Date
Sun Sep 04 2016
Journal Name
Baghdad Science Journal
The Removal of Zinc from Aqueous Solutions Using Malvaparviflora
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In this study, the adsorption of Zn (NO3)2 is carried out by using surfaces of malvaparviflora. The validity of the adsorption is evaluated by using atomic absorption Spectrophotometry through determination the amount of adsorbed Zn (NO3)2. Various parameters such as PH, adsorbent weight and contact time are studied in terms of their effect on the reaction progress. Furthermore, Lagergren’s equation is used to determine adsorption kinetics. It is observed that high removal of Zn (NO3)2 is obtained at PH=2. High removal of Zn (NO3)2 is at the time equivalent of 60 min and reaches equilibrium,where 0.25gm is the best weight of adsorbant . For kinetics the reaction onto malvaparviflora follows pseudo first order Lagergren’s equation.

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Publication Date
Sun Jun 03 2012
Journal Name
Baghdad Science Journal
Mechanical properties of carbon nanotube reinforced Epoxy Resin composites
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Overlapped have been prepared from epoxy resin material added to carbon Nanotube and percentages weight (0.1, 0.05, 0.01) % Studied the mechanical properties of the composite (bending, tensile an d hardness) has been found that the Flexural and tensile modulus of the composites were higher than the pure epoxy resin this may be due to the high mechanical strength of carbon nano tube (CNT). The hardness of the epoxy carbon Nanotube composites increased and the reason is due to increased overlap and stacking between the additives and material basis, which reduces the movement of polymer molecules leading to increased resistance to scratching material and cutting, will become more resistance to plastic deformation.

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Publication Date
Mon Jun 05 2023
Journal Name
Journal Of Engineering
Historical Paths and the Growth of Baghdad Old Center
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Urban growth of cities is connected with three related problems, the first one, is the deterioration of the center, which is a mark for historical origin. The second is the emergence of city edge, which contradicts by the center. The third one is the rapid semi urbanism of the edge. Literature review showed that Baghdad historical center (Old Rusafa and Karkh) had grown in four morphological stages, during which main paths had been changed from those which were perpendicular to the river front to those parallel to it. Research problem is that “there is a knowledge gap about the direction and origin of paths within Baghdad old center, after its growth”. The first research hypothesis is, “the direction of paths within old Baghdad cen

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Publication Date
Sun Mar 15 2020
Journal Name
Arab World English Journal
Pragmatics of Political Blame in British and Iraqi Parliaments
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This research is a pragmatic study of political blame in British and Iraqi Parliaments. It aims to unfold the similarities and/or differences in terms of the pragmatic and pragma-rhetorical strategies used by British and Iraqi politicians when they exchange blame in both offensive and defensive situations. A statistical analysis is conducted to quantitatively support the findings of the pragmatic analysis. The analyses conducted have yielded different results among blame is a process composed of two stages. Each stage is distinct for its pragmatic components and pragma-rhetorical strategies. British and Iraqi MPs at the blame stage tend to utilize impoliteness as their main strategy. However, British and Iraqi MPs perform differently at the

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