Preferred Language
Articles
/
pBYhFIcBVTCNdQwCYjSl
Catalytic Hydrogenation of <i>p</i>-Chloronitrobenzene to <i>p</i>-Chloroaniline Mediated by γ-Mo<sub>2</sub>N
...Show More Authors

Promoting the production of industrially important aromatic chloroamines over transition-metal nitrides catalysts has emerged as a prominent theme in catalysis. This contribution provides an insight into the reduction mechanism of p-chloronitrobenzene (p-CNB) to p-chloroaniline (p-CAN) over the γ-Mo2N(111) surface by means of density functional theory calculations. The adsorption energies of various molecularly adsorbed modes of p-CNB were computed. Our findings display that, p-CNB prefers to be adsorbed over two distinct adsorption sites, namely, Mo-hollow face-centered cubic (fcc) and N-hollow hexagonal close-packed (hcp) sites with adsorption energies of −32.1 and −38.5 kcal/mol, respectively. We establish that the activation of nitro group proceeds through direct pathway along with formation of several reaction intermediates. Most of these intermediaries reside in a significant well-depth in reference to the entrance channel. Central to the constructed mechanism is H-transfer steps from fcc and hcp hollow sites to the NO/–NH groups through modest reaction barriers. Our computed rate constant for the conversion of p-CNB correlates very well with the experimental finding (0.018 versus 0.033 s–1 at ∼500 K). Plotted species profiles via a simplified kinetics model confirms the experimentally reported high selectivity toward the formation of p-CAN at relatively low temperatures. It is hoped that thermokinetics parameters and mechanistic pathways provided herein will afford a molecular level understanding for γ-Mo2N-mediated conversion of halogenated nitrobenzenes into their corresponding nitroanilines; a process that entails significant industrial applications.

Scopus Clarivate Crossref
View Publication
Publication Date
Fri Dec 01 2023
Journal Name
Baghdad Science Journal
Effect of Chromium (VI) on the Oxidation of Methylene Blue Dye by Fe3O4/ Chitosan Composite
...Show More Authors

     Heavy metal ion removal from industrial wastewater treatment systems is still difficult because it contains organic contaminants. In this study, functional composite hydrogels with photo Fenton reaction activity were used to decompose organic contaminants. Fe3O4 Nanoparticle, chitosan (CS), and other materials make up the hydrogel. There are different factors that affected Photo-Fenton activity including (pH, H2O2 conc., temp., and exposure period). Atomic force microscopy was used to examine the morphology of the composite and its average diameter (AFM). After 60 minutes of exposure to UV radiation, CS/ Fe3O4 hydrogel composite had degraded methylene blue (M.B.)

... Show More
View Publication Preview PDF
Crossref (2)
Crossref
Publication Date
Fri Jan 01 2021
Journal Name
E3s Web Of Conferences
Assessment of Water Quality in Tigris River of AL-Kut City, Iraq by Using GIS
...Show More Authors

The concerns about water contaminants affect most developing countries bypassing rivers over them. The issue is challenging to introduce water quality within the allowed limits for drinking, industrial and agricultural purposes. In the present study, physical-chemical parameters measurements of water samples taken from eleven stations were collected during six months in 2020 through flow path along the whole length of Tigris River inside AL Kut city (center of Wassit government) were investigated for six parameters are total hardness TH, hydrogen ion pH, biological oxygen demand BOD5, total dissolved solids TDS, nitrate NO3, and sulfate SO4. The water quality analysis results were compared with the maximum allowable limit concentrat

... Show More
Scopus (4)
Crossref (3)
Scopus Crossref
Publication Date
Sun Sep 19 2021
Journal Name
Journal Of Petroleum Research And Studies
Enhancing the Rheological Properties of Water-Based Drilling Fluid by Utilizing of Environmentally-Friendly Materials
...Show More Authors

Recently, many materials have shown that they can be used as alternatives to chemicals materials in order to be used to improve the properties of drilling fluids. Some of these materials are banana peels and corn cobs which both are considered environmentally- friendly materials. The results of the X-ray diffraction examination have proved that the main components of these materials are cellulose and hemicellulose, which contribute greatly to the increasing of the effectiveness of these two materials. Due to their distinct composition, these two materials have improved the rheological properties (plastic viscosity and yield point) and reduced the filtration of the drilling fluids to a large extent. The addition rates used for each o

... Show More
View Publication
Crossref (5)
Crossref
Publication Date
Fri Sep 15 2023
Journal Name
Journal Of Optics
Studying of the structural and optical properties of titanium dioxide nanoparticles prepared by chemical method
...Show More Authors

View Publication
Scopus (4)
Crossref (2)
Scopus Clarivate Crossref
Publication Date
Sun Sep 30 2012
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Increasing of Oil Field Productivity by Implementation of Re-entry Horizontal Injection Well, Case study
...Show More Authors

Water flooding is one of the most important methods used in enhanced production; it was a pioneer method in use, but the development of technology within the oil industry, takes this subject toward another form in the oil production and application in oil fields with all types of oils and oil reservoirs. Now days most of the injection wells directed from the vertical to re-entry of full horizontal wells in order to get full of horizontal wells advantages.
This paper describes the potential benefits for using of re-entry horizontal injection wells as well as combination of re –entry horizontal injection and production wells. Al Qurainat productive sector was selected for study, which is one of the four main productive sectors of Sout

... Show More
View Publication Preview PDF
Publication Date
Sat Apr 30 2022
Journal Name
Iraqi Journal Of Science
Measurements and Calculations of parametrs of Zinc Oxide Plasma Produced by Laser induced Breakdown Spectroscopy
...Show More Authors

          In this work, the optical emission characteristics of the ZnO plasma were presented. The plasma parameters: electron temperature (Te), electron density( ne), plasma frequency (fp) and Debye length (λD) were  studied with  a spectrometer that collects the spectrum ZnO plasma in air produced by Nd:YAG laser,(λ=1064 nm) at ratio X=0.5 in the range of energy of (700-1000 mJ), duration (10 ns). The Boltzmann plot methodwas employed to calculate the electron temperature (Te), while the Stark broadening  was used to determine the electron density (ne), Debye duration (λD), and plasma frequency (fp).  Te, ne, and fp

... Show More
View Publication Preview PDF
Scopus (1)
Crossref (1)
Scopus Crossref
Publication Date
Tue Nov 09 2021
Journal Name
Journal Of Accounting And Financial Studies ( Jafs )
Adopting the green value chain to achieve sustainable competitive advantage: study to views of a sample from Ur General Company for Engineering Industries in Dhi Qar
...Show More Authors

       In light of the developments and intense competition that the world has witnessed, the need to search for a sustainable and continuous competitive advantage for economic units has emerged, as the economic units must not lose sight of their interest in the activities they perform to achieve that advantage, and it can be said that the goal of the research is to identify the theoretical dimensions of the green value chain represented by: (Green research and development, green design, green manufacturing, green marketing, green services) and the dimensions of the sustainable competitive advantage represented by (quality, creativity, innovation, cost, response to the customer), as well as identifyi

... Show More
View Publication Preview PDF
Publication Date
Sun Nov 27 2022
Journal Name
Journal Of Accounting And Financial Studies ( Jafs )
The extent to which the Iraqi environment responds to the requirements of IAS 12 in determining income tax: بحث تطبيقي في الهيئة العامة للضرائب/ قسم الشركات
...Show More Authors

The importance of this research comes from the possibility of achieving positive interaction between accounting and tax through the interest in setting accounting standards and adapting them to local tax legislation, as the adoption of the application of the international standard (IAS 12) for income taxes helps to measure and determine the base for income tax and may lead to an increase in the tax outcome. Through the reliance of enterprises on many accounting bases, and that the tax administration in Iraq depends on the element of personal judgment in determining the tax base, which leads to lack of objectivity in determining the tax outcome, as the impact of the accounting standard (IAS 12) on the tax base and tax outcome is one of th

... Show More
View Publication Preview PDF
Publication Date
Wed Jun 01 2016
Journal Name
Journal Of Engineering
Passive Design Strategies to Enhance Natural Ventilation in Buildings "Election of Passive Design Strategies to Achieve Natural Ventilation in Iraqi Urban Environment with Hot Arid Climate"
...Show More Authors

The natural ventilation in buildings is one of effective strategies for achieving energy efficiency in buildings by employing methods and ways of passive design, as well as its efficiency in providing high ranges of thermal comfort for occupants in buildings and raises their productivity. Because the concept of natural ventilation for many people confined to achieve through the windows and openings only, become necessary to provide this research to demonstrate the various passive design strategies for natural ventilation. Then, research problem: Insufficient knowledge about the importance and mechanism of the application of passive design strategies for natural ventilation in buildings. The research objective is: Analysis of passive desi

... Show More
View Publication Preview PDF
Publication Date
Fri Jan 01 2010
Journal Name
2010 Fourth Asia International Conference On Mathematical/analytical Modelling And Computer Simulation
Interaction Testing: From Pairwise to Variable Strength Interaction
...Show More Authors

View Publication
Scopus (7)
Crossref (6)
Scopus Crossref