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Hydrogenation of pyridine and hydrogenolysis of piperidine over <i>γ-</i>Mo<sub>2</sub>N 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.

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Publication Date
Tue Jan 01 2013
Journal Name
The Education Faculty Journal Of Baghdad University
Analyzing the Rhetorical Structure of Linguistics Dissertation Abstracts Written by Iraqi EFL Graduates
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Publication Date
Tue Mar 01 2022
Journal Name
Iranian Journal Of War And Public Health
Histological Evaluation of Vitronectin Protein/AngiopoietinLike 4 Protein on Bone Healing in Rats
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2929-2933

Scopus (1)
Scopus
Publication Date
Wed Nov 04 2020
Journal Name
Systematic Reviews In Pharmacy
Removal of Brilliant Dyes from its Aqueous Solution by Adsorption on Siliceous Rocks
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In this study involves removing of Brilliant Dyes, were which (Brilliant Green {BG} and Brilliant Cresyl Blue {BCB}) by using Iraqi Siliceous Rocks Powder (SRP). Adsorption isotherms were studied and the factors which prefer it, like temperature and salt effect, Adsorption isotherms of dyes, Brilliant Cresyl Blue {BCB} was found to be comparable to Langmuir equation according to Giles classification, isotherms dye Brilliant Green {BG} was found to be comparable to Freundlich equation more than dye Brilliant Blue {BCB} according to Giles classification. The adsorption process on this surface (SRP) studied at different temperatures, the results showed that the adsorption of dyes (BCB, BG) on the surface increased with increased temperature (E

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Publication Date
Thu Jul 04 2024
Journal Name
Pakistan Journal Of Life And Social Sciences
Analysis of Kidney Amino Acids in Iraqi Pin-Tailed Sandgrouse Pterocles Alchata Bird
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The amine group (NH2) and the carboxyl group (COOH-) are the fundamental components of amino acids. They regulate several essential physiological functions of organisms and are found in all forms of life, including humans, plants, and microorganisms. Furthermore, they serve as vital energy sources and also act as neurotransmitters. An analysis of the kidneys of Pterocles alchata, an Iraqi Pin-tailed sandgrouse, revealed the presence of 18 specific amino acids. The data indicate that there were no significant differences in the total amounts of amino acids among the three renal lobes. The concentrations in the anterior, middle, and posterior lobes were measured to be 14.154 ą97. 273, 12.437 ą87. 255, and 11.882 ą88. 157 correspondingly, w

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Publication Date
Tue Dec 01 2020
Journal Name
Journal Of Green Engineering
Investigate the suitability of suspended sediment transport formulas in the main outfall drain
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Scopus
Publication Date
Tue Feb 28 2017
Journal Name
Journal Of Engineering
Removal of Lead (II) from Aqueous Solution Using Chitosan Impregnated Granular Activated Carbon
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The use of biopolymer material Chitosan impregnated granular activated carbon CHGAC as adsorbent in the removal of lead ions  pb.2+   from aqueous solution was studied using batch adsorption mode. The prepared CHGAC was characterized by Scanning Electronic Microscopy (SEM) and atomic-absorption  pectrophotometer. The adsorption of lead ions onto Chitosan-impregnated granular activated carbon was examined as a function of adsorbent weight, pH and
contact time in Batch system. Langmuir and Freundlich models were employed to analyze the resulting experimental data demonstrated that better fitted by Langmuir isotherm model than Freundlich model, with good correlation coefficient. The maximum adsorption capacity calculated f

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Publication Date
Fri Mar 15 2019
Journal Name
Al-khwarizmi Engineering Journal
Theoretical Prediction of Optimum Chilled Water Distribution Configuration in Air Conditioning Terminal Unit
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 The distribution of chilled water flow rate in terminal unit is a major factor used to evaluate the performance of central air conditioning unit. In this work, a theoretical chilled water distribution in the terminal units has been studied to predict the optimum heat performance of terminal unit. The central Air-conditioning unit model consists of cooling/ heating coil (three units), chilled water source (chiller), three-way and two-way valve with bypass, piping network, and pump. The term of optimization in terminal unit ingredient has two categories, the first is the uniform of the water flow rate representing in statically permanents standard deviation (minimum value) and the second category is the maximum heat transfer rate fro

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Crossref
Publication Date
Thu Jun 01 2023
Journal Name
Iraqi Journal Of Physics
Effect of Organic / Inorganic Gate Materials on the Organic Field-Effect Transistors Performance
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The choice of gate dielectric materials is fundamental for organic field effect transistors (OFET), integrated circuits, and several electronic applications. The operation of the OFET depends on two essential parameters: the insulation between the semiconductor layer and the gate electrode and the capacitance of the insulator. In this work, the electrical behavior of a pentacene-based OFET with a top contact / bottom gate was studied. Organic polyvinyl alcohol (PVA) and inorganic hafnium oxide (HfO2) were chosen as gate dielectric materials to lower the operation voltage to achieve the next generation of electronic applications. In this study, the performance of the OFET was studied using monolayer and bilayer gate insulators. To mo

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Publication Date
Wed Mar 10 2021
Journal Name
Baghdad Science Journal
Influence of alcoholic extract crude fenugreek seeds on fertility in male mice eggs
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Histologic changes were studied and physiological dosage crude alcoholic extract of seeds of the fenugreek plant for male mice eggs in different concentrations after oral to study testicular tissue and culverts where reason Abstract significant decrease

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Publication Date
Thu Sep 01 2011
Journal Name
Journal Of Accounting And Financial Studies ( Jafs )
The accountancy Using of Gaols programming model to determine the optimal production mix
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The research aims to determine the mix of production optimization in the case of several conflicting objectives to be achieved at the same time, therefore, discussions dealt with the concept of programming goals and entrances to be resolved and dealt with the general formula for the programming model the goals and finally determine the mix of production optimization using a programming model targets to the default case.

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