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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 Nov 02 2018
Journal Name
Iraqi National Journal Of Nursing Specialties
Assessment of Psychological Problems for Institutionalized and Noninstitutionalized Geriatric People in Baghdad City
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objective : To assess for Psychological Problems. The study was carried out from 1st of December 2004 to 15th
March, 2005.
Mythology : A descriptive comparative study was conducted for elder in the geriatric home and the community;
A questionnaire was constructed to achieve the purposes of the study; it includes two parts dealing with the
elder demographic characteristics and psychological problems.
A purposive (no probability) sampling of (100) elderly include (50) elderly from the Geriatric Home and (50)
elderly from the community.
Data were collected and analyzed through a descriptive statistical approach (frequency, percentage, mean and
mean of scores, Standard deviation, Relative Sufficiency).
Result : the

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Publication Date
Mon Apr 01 2019
Journal Name
Journal Of Educational And Psychological Researches
The Intellectual Security and Its Relation to Psychological Resilience of Secondary School Students
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The current research aims to determine the intellectual security and the psychological resilience of Secondary school students and how these two variables are related to each other. The study also seeks the extent to which psychological resilience contributes to intellectual security

The research sample consisted of (420) students from the Secondary stage in the Directorate of Education of Baghdad / Rusafa III. Two scales were administered to the participants to collect the needed data. As for the analysis of data, Pearson correlation coefficient, T-test, and the Regression analysis were employed, the results revealed:

  1. The members of the sample have an intellectual Security.
  2. The members of the sample have

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Publication Date
Sun Apr 08 2018
Journal Name
Al-khwarizmi Engineering Journal
Inverse Kinematics Solution for Redundant Robot Manipulator using Combination of GA and NN
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A demonstration of the inverse kinematics is a very complex problem for redundant robot manipulator. This paper presents the solution of inverse kinematics for one of redundant robots manipulator (three link robot) by combing of two intelligent algorithms GA (Genetic Algorithm) and NN (Neural Network). The inputs are position and orientation of three link robot. These inputs are entering to Back Propagation Neural Network (BPNN). The weights of BPNN are optimized using continuous GA. The (Mean Square Error) MSE is also computed between the estimated and desired outputs of joint angles. In this paper, the fitness function in GA is proposed. The sinwave and circular for three link robot end effecter and desired trajectories are simulated b

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Publication Date
Fri Mar 01 2019
Journal Name
Al-khwarizmi Engineering Journal
The Effect of Micro and Nano Material on Critical Heat Flux (CHF) Enhancement
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The Nano materials play a very important role in the heat transfer enhancement. An experimental investigation has been done to understand the behaviors of nano and micro materials on critical heat flux. Pool boiling experiments have used for several concentrations of nano and micro particles on a 0.4 mm diameter nickel chrome (Ni-Cr) wire heater which is heated electrically at atmospheric pressure. Zinc oxide(ZnO) and silica(SiO2) were used as a nano and micro fluids with concentrations (0.01,0.05,0.1,0.3,0.5,1 g/L), a marked enhancement in CHF have been shown in the results for nano and micro fluids for different concentrations compared to distilled water. The deposition of the nano particles on the heater surface was the rea

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Publication Date
Tue Sep 11 2018
Journal Name
Iraqi Journal Of Physics
Electrical glow discharges and plasma parameter of planar sputtering system for silver target
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DC planar sputtering system is characterized by varying discharge potential of (250-2000 volt) and Argon gas pressures of (3.5×10-2 – 1.5) mbar. The breakdown voltage for silver electrode was studied with a uniform electric field at different discharge distances, as well as plasma parameters. The breakdown voltage is a product of the Argon gas pressure inside the chamber and gab distance between the electrodes, represent as Paschen curve. The Current-voltage characteristics curves indicate that the electrical discharge plasma is working in the abnormal glow region. Plasma parameters were found from the current-voltage characteristics of a single probe positioned at the inter-cathode space. Typical values of the electron temperature an

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Publication Date
Fri Jan 11 2019
Journal Name
Iraqi Journal Of Physics
Characterization of smoker and non smoker human teeth using laser induced breakdown spectroscopy
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In this work, the elemental constituents of smoker and nonsmoker
teeth samples of human were analyzed by Laser induced breakdown
spectroscopy method (LIBS). Many elements have been detected in
the healthy teeth samples, the important once are Ca, P, Mg, Fe, Pb
and Na. Many differences were found between (female and male)
teeth in Ca, P, Mg, Na and Pb contents. The concentrations of most
toxic elements were found significantly in the smoker group. The
maximum concentrations of toxic elements such as Pb, Cd and Co
were found in older male age above 60 year. Also, it was found that
the minimum concentrations of trace elements such as Ca, P and Na
exist in this age group. From these results it is clear that the

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Publication Date
Mon Jul 01 2019
Journal Name
International Journal Of Pharmaceutical Research
Sensitive Spectrophotometric Determination of Doxycycline in Pure and Dosage Forms using p-Bromanil
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Publication Date
Mon Oct 31 2022
Journal Name
Periodicals Of Engineering And Natural Sciences (pen)
The adoption of green management in Iraqi construction industry: The challenges and benefits
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Publication Date
Wed Apr 05 2023
Journal Name
Journal Of Engineering
Performance Evaluation of Small Scale Air-Conditioning System Using R22 and Alternative Refrigerants
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A mathematical model has been formulated to predict the influence of high outdoor air temperature on the performance of small scale air - conditioning system using R22 and alternative refrigerants R290, R407C, R410A. All refrigerants were investigated in the cooling mode operation. The mathematical model results have been validated with experimental data extracted from split type air conditioner of 2 TR capacity. This entailed the construction of an experimental test rig which consists of four main parts. They are, the refrigeration system, psychrometric test facility, measuring instrumentation, and auxiliary systems. The conditioned air was maintained at 25 0C dry bulb and 19 0C wet bulb for all tests. The outdoor ambient air temperatur

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Publication Date
Wed Nov 01 2017
Journal Name
Journal Of Engineering
Impact of Preparing HMA with Modified Asphalt Cement on Moisture and Temperature Susceptibility
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Many researchers tried to prevent or reduce moisture damage and its sensitivity to temperature to improving the performance of hot mix asphalt because it is decreasing the functional and structural life of fixable pavement due to the moisture damage had exposed to it.

The main objective of this study is to inspect the effect of (fly ash “3%, 6%, 12%”, hydrated lime”5%, 10%, 20%” and silica fumes”1%, 2%, 4%) referring to previous research by the net weight asphalt cement as a modified material on the moisture and temperature sensitivity of hot mix asphalt. This was done using asphalt from AL-Nasiria refinery with penetration grade 40-50, nominal maximum size (12.5) mm (surface course) of aggregate and on

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