Preferred Language
Articles
/
xBbis4cBVTCNdQwC2lu2
Hydrogenation of pyridine and hydrogenolysis of piperidine over $γ$-Mo2N catalyst: a DFT study
...Show More Authors

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
Mon Jul 01 2024
Journal Name
Journal Of The Faculty Of Medicine Baghdad
Evaluation of some Biochemical and Hematological Parameters in Patients with Chronic Kidney Disease
...Show More Authors

Background: Chronic kidney disease is a condition that results from an indefinite change in the structure and function of the kidneys. A slow, steady progression characterizes it and is irreversible.  Objectives: This study aims to evaluate the findings of certain biochemical and hematological tests in samples from Iraqi CKD patients.  Methods: This study included 90 subjects, where 70 patients with chronic kidney disease and 20 healthy individuals. Blood samples were collected from the patients during their visits to Ghazi Al-Hariri Surgical Specialties' Hospital- Medical City, Baghdad, Iraq. Age, sex and body mass index were assessed for each participant followed by renal function tests [serum blood urea, creatinine, uric acid a

... Show More
View Publication
Scopus (2)
Crossref (1)
Scopus Crossref
Publication Date
Mon Apr 01 2019
Journal Name
Materials Chemistry And Physics
Investigation of silica polymorphs stratified in siliceous geode using FTIR and XRD methods
...Show More Authors

View Publication
Crossref (63)
Crossref
Publication Date
Sun Jul 01 2018
Journal Name
Journal Of Educational And Psychological Researches
Family violence and its impact on the educational achievement of primary school children
...Show More Authors

The research included four chapters starting with the chapter dealing with the problem of child abuse which was one of the most important educational and social problems faced by children from their parents or family members. The most common forms of abuse are physical and psychological violence. The problem of school delays is also one of the most important educational and psychological issues that concern educators, which occur because of violence and neglect of the family. The study pointed out that domestic violence is one of the issues that has started to alarm both the global and local communities, because childhood is one of the most important stages of the human development system, which is healthy in terms of physical, mental, p

... Show More
View Publication Preview PDF
Publication Date
Fri May 31 2019
Journal Name
Journal Of Engineering
Decolorization, Biodegradation and Detoxification of Reactive Blue Azo Dye Using Immobilized Mixed Cells
...Show More Authors

Drastic threat to the natural system is caused by the uncontrolled release of synthetic pollutants, including azo dyes. This study centered on the decolorization and biodegradation of water soluble azo dye reactive blue (RB) in a batch mode sequential anaerobic-aerobic processes. A local sewage treatment plant was the source where activated sludge was collected to be used as non-adapted mixed culture with both free and the alginate immobilized cells for RB biodegradation. Under anaerobic conditions, the free and immobilized mixed cells were proved to completely decolorize 10 mg/ L of RB within 20 and 30 h, respectively. Alginate- immobilized mixed cells, resulted in 88%, 87%, and 87% maximum COD removals with samples con

... Show More
View Publication Preview PDF
Crossref (14)
Crossref
Publication Date
Fri Jun 03 2022
Journal Name
Basra Journal Of Science
Morphological and Electrical properties of Polyvinylpyrrolidone/Multi-walled Carbon Nanotubes Nanocomposite with Graphene
...Show More Authors

The solution casting method was used to prepare a polyvinylpyrrolidone (PVP)/Multi-walled carbon nanotubes (MWCNTs) nanocomposite with Graphene (Gr). Field Effect Scanning Electron Microscope (FESEM) and Fourier Transformer Infrared (FTIR) were used to characterize the surface morphology and optical properties of samples. FESEM images revealed a uniform distribution of graphene within the PVP-MWCNT nanocomposite. The FTIR spectra confirmed the nanocomposite information is successful with apperaring the presence of primary distinct peaks belonging to vibration groups that describe the prepared samples.. Furthermore, found that the DC electrical conductivity of the prepared nanocomposites increases with increasing MWCNT concentratio

... Show More
View Publication Preview PDF
Scopus (2)
Crossref (3)
Scopus Crossref
Publication Date
Thu Mar 27 2025
Journal Name
Environmental Technology Reviews
Advanced treatment of petroleum refinery wastewater by electro-Fenton and photo-catalytic processes
...Show More Authors

View Publication
Scopus (6)
Crossref (5)
Scopus Crossref
Publication Date
Mon Jan 01 2024
Journal Name
Communications In Mathematical Biology And Neuroscience
The contribution of amensalism and parasitism in the three-species ecological system's dynamic
...Show More Authors

View Publication
Scopus (9)
Scopus Clarivate Crossref
Publication Date
Tue Sep 01 2020
Journal Name
Molecular Crystals And Liquid Crystals
Synthesis and liquid crystalline behavior of some twin compounds derived from quinolone derivatives
...Show More Authors

View Publication
Scopus (6)
Crossref (6)
Scopus Clarivate Crossref
Publication Date
Mon Oct 17 2022
Journal Name
Sustainability
Analysis and Residual Behavior of Encased Pultruded GFRP I-Beam under Fire Loading
...Show More Authors

In this paper, fire resistance and residual capacity tests were carried out on encased pultruded glass fiber-reinforced polymer (GFRP) I-beams with high-strength concrete beams. The specimens were loaded concurrently under 25% of the ultimate load and fire exposure (an increase in temperature of 700 °C) for 70 min. Subsequently, the fire-damaged specimens were allowed to cool and then were loaded statically until failure to explore the residual behaviors. The effects of using shear connectors and web stiffeners on the residual behavior were investigated. Finite Element (FE) analysis was developed to simulate the encased pultruded GFRP I-beams under the effect of fire loading. The thermal analyses were performed using the general-pu

... Show More
Scopus (23)
Crossref (26)
Scopus Clarivate Crossref
Publication Date
Mon May 01 2023
Journal Name
Petroleum Research
Investigating tight oil reservoir production performance: Influence of geomechanical parameters and their distribution
...Show More Authors

View Publication
Scopus (7)
Crossref (7)
Scopus Clarivate Crossref