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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
Sat Aug 02 2025
Journal Name
Al–bahith Al–a'alami
Methods and Means of public relation in dealing with Bureaucracy
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The importance of Public Relations activity has increased during the last half of the last century as a specialized and modern administrative function in most institutions. It has, moreover, become an integral part of activities of those institutions of various types, due to its pivotal role in building its reputation and drawing a good mental image among its audiences, as well as its influential and basic role in maintaining communication and the communication between its members at its various levels and their job tasks to ensure the greatest amount of understanding and to enhance trust between them. This is why public relations activity has become indispensable in all institutions, and without it, it is difficult to achieve any coordi

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Publication Date
Tue Oct 02 2018
Journal Name
Iraqi Journal Of Physics
Frustrated total internal reflection of newton rings multiple beam interference
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Frustrated Total Internal Reflection FTIR phenomenon is manifested employing Newton‟s rings setup generated via a coherent light beam of a laser diode ( . All concentric bright and dark rings, except the central bright spot, were noticed to recede (disappear) when the incident angle exceeded the critical angle of 41o.
It was also shown that the current setup has proven its applicability for other tests and can give convenient results that conform with theory. Neither the concept nor the design is beyond what can be realized in an undergraduate laboratory. However, technical improvements in mounting the prism - lens may be advisable. As an extension of the experiments, the effect can be studied using hollow prism filled with liquids

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Crossref
Publication Date
Sat Oct 01 2011
Journal Name
Iraqi Journal Of Physics
Study the spectroscopy of samarium encapsulated in silica Xerogel matrices
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The sol-gel preparation technique of transparent silica monoliths containing up to 0.5 M of samarium have been described. The sol-gel processing parameters are: acid catalyzed hydrolysis and controlled drying. The prepared monoliths are analyzed by X-ray diffraction, pycnometer measurements, Fourier transformation infrared spectroscopy and optical spectroscopy. The oscillator strengths of the Sm3+ ions in the silica monoliths are calculated. The results show a linear concentration dependence of some Sm3+ transitions in UV/Vis absorption spectra and formation of Sm3+ clusters inside the pores structure of silica monoliths at high Sm3+ concentration

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Publication Date
Wed Dec 30 2015
Journal Name
College Of Islamic Sciences
The sayings of the Scotty report in the six books
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The study of this topic is not to underestimate the previous studies but to the great importance of the Sunnis of the report. The reasoning of the Hadiths of the report is a kind of invisibility in that the significance is not a phenomenon such as the emergence of reasoning in the words of words and deeds. With the introduction of all types of Sunnah and protest, there is no difference between them, and that the Sunnis argument like other Sunnah. What we will see in the research.

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Publication Date
Thu Mar 01 2007
Journal Name
Al-khwarizmi Engineering Journal
The Inverse Solution Of Dexterous Robot By Using Neural Networks
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The inverse kinematics of redundant manipulators has infinite solutions by using conventional methods, so that, this work presents applicability of intelligent tool (artificial neural network ANN) for finding one desired solution from these solutions. The inverse analysis and trajectory planning of a three link redundant planar robot have been studied in this work using a proposed dual neural networks model (DNNM), which shows a predictable time decreasing in the training session. The effect of the number of the training sets on the DNNM output and the number of NN layers have been studied. Several trajectories have been implemented using point to point trajectory planning algorithm with DNNM and the result shows good accuracy of the end

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Publication Date
Wed Sep 23 2020
Journal Name
Journal Of Research In Medical And Dental Science
Parental Perceptions of Silver Diamine Fluoride Discoloration in Baghdad/Iraq
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Introduction: The major drawback of Silver diamine ϔŽuor‹de was the dark discoloration of the treated carious lesion. Aim: This study was conducted to determine the parental acceptability and perceptions to the discoloration and assess whether the degree of their acceptability could be altered with the position of the discoloured teeth, child attitude and the demographic characteristics of parents. Method: The parents who attended the dental clinic received a questionnaire which formulated with short summery about silver diamine ϔŽuor‹de with photographs (before and after treatment) and containing questions about the demographical data, attitude of the child in the dental clinic and the acceptability of SDF discoloration at different

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Publication Date
Tue Aug 15 2023
Journal Name
Al-academy
Automatic operation of the optical system in the theatrical show
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Theatrical techniques took upon themselves the responsibility of building and organizing the theatrical form for the various forms of performances, and it was the important tool that the show makers could rely on in carrying out the various works at the audio-visual level, and lighting is one of the most important elements of the visual formation of the image in the show, as it is related to the visual process and what it can achieve in operations The contrast that constitutes the aesthetic and intellectual values of the theatrical show, especially since the process of adjusting the element of time and the timings for receiving or delivering, moving, and the movement of the actor is what can determine the rhythm of the scene, which in it

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Crossref
Publication Date
Tue Dec 11 2018
Journal Name
Iraqi National Journal Of Nursing Specialties
Effects of Spontaneous Abortion upon Women's Physical and Spiritual Status
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Background: Spontaneous abortion means that a pregnancy is lost prior to viability, the loss of a fetus weighing less than 500 g, and the loss of an embryo or fetus at 20 weeks gestation or less (WHO, 2001). Glenville, (2001) has reported that suffering a miscarriage is one of the most devastating things that can happen to a woman, and to her husband. Many women conceive easily and are not emotionally or physically prepared for the shock of losing a baby. Objective: To know effects of spontaneous abortion upon physical status and spiritual beliefs , also find out the association between physical status and spi

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Publication Date
Tue Jan 08 2019
Journal Name
Iraqi Journal Of Physics
D.C electrical conductivity of prepared pure and doped polyaniline salt
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Pure Polyaniline salt, and protonation PANI by H2SO4 were synthesized by electro-chemical oxidative polymerization of aniline with acidity of H2SO4. The solution was prepared in reaction temperature equal 291 K and the acidity of aqueous solution was 1 molarities. The prepared polyaniline was characterized by FT-IR, the result indicate that the intensity is increase with increasing of applied voltage. The dc conductivity has been measured for bulk polyaniline pure and doped in the form of compressed pellet with evaporated Ohmic Al electrodes in temperature range (303-423) K. The Eav energy of the thermal rate process of the electrical conductivity was determined. The results indicate that the dc conductivity of doped samples are two or t

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Publication Date
Fri Dec 31 2021
Journal Name
Iraqi Journal Of Laser
Laser Microdrilling and Nanodrilling of 8009 Aluminium Alloy using Nanoparticles
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 The microdrilling and nanodrilling holes are produced by a Q-switched Nd :YAG laser (1064 nm) interaction with 8009 Al alloy using nanoparticles. Two kinds of nanoparticles were used with this alloy. These nanoparticles are tungsten carbide (WC) and silica carbide (SiC). In this work, the microholes and nanoholes have been investigated with different laser pulse energies (600, 700 and 800)mJ, different repetition rates (5Hz and 10Hz) and different concentration of nanoparticles (90%, 50% and 5% ). The results indicate that  the microholes and nanoholes have been achieved when the laser pulse energy is 600 mJ, laser repetition rate is 5Hz, and the concentration of the  nanoparticles (for the two types of n

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