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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
Mon Oct 03 2016
Journal Name
International Journal Of Civil Engineering
Development of Excess Pore Water Pressure around Piles Excited by Pure Vertical Vibration
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Publication Date
Sun Mar 01 2020
Journal Name
Iraqi Journal Of Physics
Chaotic features of energy spectrum in 68Ge Nucleus Using the Nuclear Shell Model
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   Chaotic features of nuclear energy spectrum in 68Ge nucleus are investigated by nuclear shell model. The energies are calculated through doing shell model calculations employing the OXBASH computer code with effective interaction of F5PVH. The 68Ge nucleus is supposed to have an inert core of 56Ni with 12 nucleons (4 protons and 8 neutrons) move in the f5p-model space ( and ). The nuclear level density of considered classes of states is seen to have a Gaussian form, which is in accord with the prediction of other theoretical studies. The statistical fluctuations of the energy spectrum (the level spacing P(s) and the Dyson-Mehta (or statistics) are well described by the Gaussian orthogonal ens

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Publication Date
Mon Dec 04 2017
Journal Name
Al-qadisiyah Journal For Administrative And Economic Sciences
Survival Function Estimating of Single age Groups for Generalized Gamma Distribution with Simulation.
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The analysis of survival and reliability considered of topics and methods of vital statistics at the present time because of their importance in the various demographical, medical, industrial and engineering fields. This research focused generate random data for samples from the probability distribution Generalized Gamma: GG, known as: "Inverse Transformation" Method: ITM, which includes the distribution cycle integration function incomplete Gamma integration making it more difficult classical estimation so will be the need to illustration to the method of numerical approximation and then appreciation of the function of survival function. It was estimated survival function by simulation the way "Monte Carlo". The Entropy method used for the

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Publication Date
Mon Jul 30 2018
Journal Name
Civil Engineering Journal
Performance of Post-Fire Composite Prestressed Concrete Beam Topped with Reinforced Concrete Flange
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The performance of composite prestressed concrete beam topped with reinforced concrete flange structures in fire depends upon several factors, including the change in properties of the two different materials due to fire exposure and temperature distribution within the composition of the composite members of the structure. The present experimental work included casting of 12 identical simply supported prestressed concrete beams grouped into 3 categories, depending on the strength of the top reinforced concrete deck slab (20, 30, and 40 MPa). They were connected together by using shear connector reinforcements. To simulate the real practical fire disasters, 3 composite prestressed concrete beams from each group were exposed to high t

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Publication Date
Sun Mar 04 2018
Journal Name
Baghdad Science Journal
Biosorption of Safranin-O from Aqueous Solution by Nile Rose Plant (Eichhornia crassipes)
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In this work Aquatic plant (Nile rose) was used to study adsorption of industrial dye (safranin-O from aqueous solution within several operation conditions. The dried leaves of Nile rose plant were used as adsorbents safranin-O from aqueous solution after different activations such as wet and dry enhancements. The data show increasing in dye solution removal percentage for both activation methods of the adsorbent and also dye removal percentage that was obtained by using adsorbent without any treatment with the progress contact time. The dye removal percentages at equilibrium time 40 minutes were 88.7% at non-activation, 92.3% at thermal activation, and 98.3% at acidic activation. The samples adsorbents before and after adsorption which wer

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Publication Date
Tue Mar 19 2019
Journal Name
Political Sciences Journal
Rentierism effect on the democratic choice of the state In Iraq after 2003
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The linguistic meaning of the verse in the Arabic dictionaries applies very much to the reality of rent and its effect. This is true of economic growth as a continuous increase in real per capita income in addition to the same thing. Therefore, development does not necessarily achieve a comprehensive and structural increase of the various economic sectors. As the rent came in the sense of a terrible land open Maim any fertilized. And the camel is a ma'aya and a ra'i: that is, it goes in the pasture and returns itself. This is similar to the extraction of oil after it is ready for investment and earn its revenue as soon as it exists or is extracted by external parties. If the rent is first linked to agriculture, especially the fertile lan

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Publication Date
Thu Jan 01 2015
Journal Name
Journal Of The College Of Basic Education
Efficient Modifications of the Adomian Decomposition Method for Thirteenth Order Ordinary Differential Equations
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This paper deals with the thirteenth order differential equations linear and nonlinear in boundary value problems by using the Modified Adomian Decomposition Method (MADM), the analytical results of the equations have been obtained in terms of convergent series with easily computable components. Two numerical examples results show that this method is a promising and powerful tool for solving this problems.

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Publication Date
Thu Jun 30 2016
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Adsorption of Fluoroquinolones Antibiotics on Activated Carbon by K2CO3 with Microwave Assisted Activation
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The preparation of low cost activated carbon from date stones and microwave method by using K2CO3 as chemical activator were investigated.

   The prepared activated carbon was used to remove fluoroquinolones antibiotics from aqueous solution. The characterizations of the activated carbon is represented by surface area, pore volume, ash content, moisture content, bulk density, and iodine number. The adsorbed fluoroquinolones antibiotics are Ciprofloxcin (CIP), Norfloxcin (NOR) and Levofloxcin (LEVO). Different variables as pH, initial concentrations and contact time were studied to show the efficieny of prepared activated carbon. The experimental adsorption data were analyzed by Lungmuir, Freundlich

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Publication Date
Sun Jan 01 2012
Journal Name
مجلة الهندسة والتكنولوجيا
Histopathological Effects of Burkholderia Mallei Isolated from Patients with Wound Infections on Mice
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Publication Date
Wed Jan 01 2020
Journal Name
Biochemical Cellular Archives
Synthesis, characterizationand antibacterialactivity of PVA cyclic acetal (Cu) metal complex / chitosan polymer blend
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Polyacetal was synthesized from the reaction of PVA with para-methyoxy benzaldehyde. Polymer metal complexwas prepared by reaction with Cu, polymer blend with Chitosan was prepared through the technique of solution casting method.All prepared compounds have been characterized through FT-IR, DSC, SEM as well as the Biological activity. The FT-IR results indicated the formation of polyacetal. The DSC results indicated the thermal stability regarding prepared polymer, polymermetal complex and Chitosan polymer blends. Antibacterial potential related to synthesized polyacetal, its metal complex andChitosan blend against four types of bacteria namely, Staphylococcus aureas, Psedomonas aeruginosa, Bacillus subtilis, Escherichia coli was examined a

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