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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
Sat Dec 01 2012
Journal Name
Iraqi Journal Of Physics
Study the optical properties of CuInS2 non stoichiometric thin films prepared by chemical spray pyrolysis method
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Effect of [Cu/In] ratio on the optical properties of CuInS2 thin films prepared by chemical spray pyrolysis on glass slides at 300oC was studied. The optical characteristics of the prepared thin films have been investigated using UV-VIS spectrophotometer in the wavelength range (300-1100 nm). The films have a direct allow electronic transition with optical energy gap (Eg) decreased from 1.51 eV to 1.30 eV with increasing of [Cu/In] ratio and as well as we notice that films have different behavior when annealed the films in the temperature 100oC (1h,2h), 200oC (1h,2h) for [Cu/In]=1.4 . Also the extinction coefficient (k), refractive index (n) and the real and imaginary dielectric constants (ε1, ε2) have been investigated

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Publication Date
Sat Jan 01 2022
Journal Name
Technologies And Materials For Renewable Energy, Environment And Sustainability: Tmrees21gr
Effect of non-thermal plasma by FE-DBD scheme on lipids in blood in vivo study
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This study illustrates the impact of non-thermal plasma (Cold Atmospheric Plasma CAP) on the lipids blood, the study in vivo. The lipids are (cholesterol, HDL-Cholesterol, LDL-Cholesterol and triglyceride) are tested. (FE-DBD) scheme of probe diameter 4cm is used for this purpose, and the output voltage ranged from (0-20) kV with variable frequency (0-30) kHz. The effect of non-thermal atmospheric plasma on lipids were studied with different exposure durations (20,30) sec. As a result, the longer plasma exposure duration decreases more lipids in blood.

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Publication Date
Mon Apr 21 2025
Journal Name
Structural Concrete
On the effectiveness of shear reinforcement type in <scp>GFRP</scp>‐reinforced concrete beams: Experimental study
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Abstract<p>This study investigated the shear performance of concrete beams with GFRP stirrups vs. traditional steel stirrups. Longitudinal glass fiber‐reinforced polymer (GFRP) bars were used to doubly reinforce the tested beams at both the top and bottom of their cross sections. To accomplish this, several stirrup spacings were provided. Eight beam specimens, measuring 300 × 250 × 2400 mm, were used in an experimental program to test under a two‐point concentrated load with an equal span‐to‐depth ratio until failure. Four beams in Group I have standard mild steel stirrups of 8 mm diameter, while four beams in Group II have GFRP stirrups with the same adopted diameter. The difference betwe</p> ... Show More
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Publication Date
Mon Apr 21 2025
Journal Name
Structural Concrete
On the effectiveness of shear reinforcement type in <scp>GFRP</scp>‐reinforced concrete beams: Experimental study
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Abstract<p>This study investigated the shear performance of concrete beams with GFRP stirrups vs. traditional steel stirrups. Longitudinal glass fiber‐reinforced polymer (GFRP) bars were used to doubly reinforce the tested beams at both the top and bottom of their cross sections. To accomplish this, several stirrup spacings were provided. Eight beam specimens, measuring 300 × 250 × 2400 mm, were used in an experimental program to test under a two‐point concentrated load with an equal span‐to‐depth ratio until failure. Four beams in Group I have standard mild steel stirrups of 8 mm diameter, while four beams in Group II have GFRP stirrups with the same adopted diameter. The difference betwe</p> ... Show More
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Publication Date
Fri Jan 01 2016
Journal Name
Procedia Economics And Finance
Impact of Information Technology Infrastructure on Innovation Performance: An Empirical Study on Private Universities In Iraq
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Publication Date
Sun Jun 30 2019
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
New Study of Mgo Nps in Drilling Fluid to Reduce Stick-Slip Vibration in Drilling System
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Stick-slip is kind of vibration which associated with drilling operation in around the bottom hole assembly (BHA) due to the small clearance between drill string & the open hole and due to the eccentric rotating of string. This research presents results of specific experimental study that was run by using two types of drilling mud (Fresh water Bentonite & Polymer), with/without Nanoparticle size materials of MgO in various ratios and computes the rheological properties of mud for each concentration [Yield point, plastic viscosity, Av, PH, filter loss (30 min), filter cake, Mud Cake Friction, Friction Factor]. These results then were used to find a clear effects of Nanoparticle drilling mud rheology on stick - slip strength by sev

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Publication Date
Wed Apr 05 2017
Journal Name
International Journal Of Science And Research
Antibacterial Effects of Pomegranate Extract (Ellagic Acid) on Some Clinically Isolated Periodontal Pathogens in Vitro Study
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Publication Date
Sun Oct 19 2025
Journal Name
Lecture Notes In Networks And Systems
The Impact of Black Marketing on Purchasing Decisions: An Exploratory Study Using AI-Driven Analytical Tools
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Publication Date
Sun Feb 22 2026
Journal Name
Al–bahith Al–a'alami
Challenges Faced by the Media under the Fragile State: Analytical Study of the Iraqi Media Reality
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This study aims at defining the concept of the fragile state, a term that came into existence in 2014, when the states that had internal Problems and external interventions were referred to as the failure states. However, the indicators for their designation and the criteria adopted are 12 indicators that address all aspects of the State’s duties vis-a-vis its citizens. The study examined the reasons that led to the continuation of Iraq within the fragile states, and the selection of the five years within the time limits of the study due to the factors that led to the decline of Iraq and falling back within the most fragile countries. The study dealt with the fragile state challenges to the media reality as a result of the change of it

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Publication Date
Mon Nov 30 2020
Journal Name
Journal Of Economics And Administrative Sciences
The Impact Of Adopting The Social Responsibility On Marketing Performance An Applied Study on NAFTAL Company
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This research paper aims at studying the effect of adopting the corporate social responsibility on marketing performance indicators, where the study adopted the descriptive method for theoretical concepts, in addition to the statistical approach by using the SPSS v25 program to analyze the questionnaire and test the hypotheses of the study. The results showed that there is a positive correlation between social responsibility and marketing performance indicators, and the study found that it is better for NAFTAL Company to mix the environmental and social responsibilities in order to improve its marketing performance. Also, the study recommended that Naftal should adopt the four responsibilities equally, correctly and make its work

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