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Hydrogenation of pyridine and hydrogenolysis of piperidine over $γ$-Mo2N catalyst: a DFT study
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Increasing demands on producing environmentally friendly products are becoming a driving force for designing highly active catalysts. Thus, surfaces that efficiently catalyse the nitrogen reduction reactions are greatly sought in moderating air-pollutant emissions. This contribution aims to computationally investigate the hydrodenitrogenation (HDN) networks of pyridine over the γ-Mo2N(111) surface using a density functional theory (DFT) approach. Various adsorption configurations have been considered for the molecularly adsorbed pyridine. Findings indicate that pyridine can be adsorbed via side-on and end-on modes in six geometries in which one adsorption site is revealed to have the lowest adsorption energy (–45.3 kcal/mol). Over a nitrogen hollow site adsorption site, initial HDN steps proceed by the stepwise hydrogenation of pyridine into piperidine followed by the Langmuir–Hinshelwood mechanism. The obtained findings are the first to theoretically model the hydrogenation pathways of pyridine to form piperidine and then the hydrogenolysis of piperidine producing C5H12 and NH3 over metal nitride. These paved the way for further investigations to better understanding such an important nitrogen removal reactions.

Publication Date
Fri Apr 09 2021
Journal Name
Education And Information Technologies
Evaluating the use of informational technologies by students of healthcare colleges for academic purposes over a five-year period
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Publication Date
Mon Dec 20 2021
Journal Name
Baghdad Science Journal
Synthesis and Characterization of New nano catalyst Mo-Ni /TiO2- γAl2O3 for Hydrodesulphurization of Iraqi Gas Oil
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   A new nano-sized NiMo/TiO2-γ-Al2O3 was prepared as a Hydrodesulphurization catalyst for Iraqi gas oil with sulfur content of 8980 ppm, supplied from Al-Dura Refinery. Sol-gel method was used to prepare TiO2- γ-Al2O3 nano catalyst support with 64% TiO2, 32% Al2O3, Ni-Mo/TiO-γ-Al2O3 catalyst was prepared under vacuum impregnation conditions to loading metals with percentage 3.8 wt.% and 14 wt.% for nickel and molybdenum respectively while the percentage for alumina, and titanium became 21.7, and 58.61 respectively. The synthesized TiO2- γ-Al2O3 nanocomposites and Ni-Mo /TiO2

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Publication Date
Fri Sep 30 2016
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Thermal and Catalytic Degradation Kinetics of High-Density Polyethylene Over NaX Nano-Zeolite
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Thermal and catalytic pyrolysis of waste plastics in an inert atmosphere has been regarded as a creative method, since pyrolysis can convert plastics waste into hydrocarbons that can be used either as fuels or as a source of chemicals.

Natural Iraqi kaolin clay was used to synthesis the NaX nano- zeolite by hydrothermal conditions with average particle size equal to 77.63nm.Thermal decomposition kinetics of high-density polyethylene (HDPE) in the absence and presence of catalysts nano NaX Zeolite was investigated. Thermal and catalytic degradation of HDPE was performed using a thermogravimetric analyzer in nitrogen atmosphere under non-isothermal conditions 4, 7 and 10 °C/min heating rates were employed in thermogravimetric anal

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Publication Date
Sun Jan 01 2012
Journal Name
Journal Of The College Of Languages (jcl)
A Phonological Study of English and Arabic Assimilation : A Contrastive Study
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        Assimilation is defined ,by many phoneticians like  Schane ,Roach ,and many others, as a phonological process when there is a change of one sound into another because of  neighboring sounds.This study investigates the  phoneme assimilation as a phonological process in English and Arabic  and it is concerned specifically with the differences and similarities in both languages.   Actually ,this study reflects the different terms which are used  in Arabic to refer to this phenomenon and in this way it  shows whether the term 'assimilation ' can have the same meaning of  'idgham' in Arabic or not . Besides, in Arabic , this phenomenon is discussed from&nb

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Publication Date
Thu May 05 2022
Journal Name
Karbala International Journal Of Modern Science
Heterogeneous catalytic degradation of dye by Fenton-like oxidation over a continuous system based on Box–Behnken design and traditional batch experiments
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In this study, iron was coupled with copper to form a bimetallic compound through a biosynthetic method, which was then used as a catalyst in the Fenton-like processes for removing direct Blue 15 dye (DB15) from aqueous solution. Characterization techniques were applied on the resultant nanoparticles such as SEM, BET, EDAX, FT-IR, XRD, and zeta potential. Specifically, the rounded and shaped as spherical nanoparticles were found for green synthesized iron/copper nanoparticles (G-Fe/Cu NPs) with the size ranging from 32-59 nm, and the surface area was 4.452 m2/g. The effect of different experimental factors was studied in both batch and continuous experiments. These factors were H2O2 concentration, G-Fe/CuNPs amount, pH, initial DB15

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Publication Date
Tue Feb 20 2024
Journal Name
Baghdad Science Journal
Some Results about Acts over Monoid and Bounded Linear Operators
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This study delves into the properties of the associated act V over the monoid S of sinshT. It examines the relationship between faithful, finitely generated, and separated acts, as well as their connections to one-to-one and onto operators. Additionally, the correlation between acts over a monoid and modules over a ring is explored. Specifically, it is established that  functions as an act over S if and only if  functions as module, where T represents a nilpotent operator. Furthermore, it is proved that when T is onto operator and  is finitely generated, is guaranteed to be finite-dimensional. Prove that for any bounded operator the following,  is acting over S if and only if  is a module where T is a nilpotent operator, is a

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Publication Date
Sun Sep 01 2024
Journal Name
Baghdad Science Journal
Some Results about Acts over Monoid and Bounded Linear Operators
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 الأثر V بالنسبة إلى   sinshT و خواصه قد تم دراسته في هذا البحث حيث تم دراسة علاقة الأثر المخلص والاثر المنتهى التولد والاثر المنفصل وربطها بالمؤثرات المتباينة حيث تم بهنة العلاقات التالية ان الاثر اذا وفقط اذا مقاس في حالة كون المؤثر هو عديم القوة وكذلك في حالة كون المؤثر شامل فان الاثر هو منتهي التولد اي ان الغضاء هو منتهي التولد وايضا تم برهن ان الاثر مخلص لكل مؤثر مقيد وك\لك قد تم التحقق من انه لاي مؤثر مقي

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Publication Date
Thu Dec 30 2021
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Synthesis and Characterization of Ni-WO3/Sulfated Zirconia Nano catalyst for Isomerization of N-Hexane and Iraqi Light Naphtha
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This work deals with preparation of Sulfated Zirconia catalyst (SZ) for isomerization of n-hexane model and refinery light naphtha, as well as enhanced the role of promoters to get the target with the mild condition, stability, and to prevent formation of coke precursors on strong acidic sites of the catalyst. The prepared SZ catalysts were characterization by fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), Brunauer –Emmett-Teller (BET) surface area analysis, Thermogravimetric Analysis (TGA), Scanning Electron Microscope (SEM) and atomic force microscopy (AFM) Analyzer. The results illustrate that the maximum conversion and selectivity for n-hexane isomerization with Ni-WSZ and operating temperature of 150 °C

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Publication Date
Sun Jun 20 2021
Journal Name
Baghdad Science Journal
Projective MDS Codes Over GF(27)‎
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MDS code is a linear code that achieves equality in the Singleton bound, and projective MDS (PG-MDS) is MDS code with independents property of any two columns of its generator matrix.   In this paper, elementary methods for modifying a PG-MDS code of dimensions 2, 3, as extending and lengthening, in order to find new incomplete PG-MDS codes have been used over . Also, two complete PG-MDS codes over  of length  and 28 have been found.

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Publication Date
Wed Jun 30 2004
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Improving the Activity of NiO-NiFe2 Catalyst by Na2O for Phenol Synthesis
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