Preferred Language
Articles
/
pxYwPogBVTCNdQwC2XUL
Hydrodesulfurization of Thiophene over $γ$-Mo2N catalyst
...Show More Authors

Catalytic removal of the S-content from thiophene is a central step in efforts aiming to reduce the environmental burdens of transportation fuels. In this contribution, we investigate the hydrodesulfurization (HDS) mechanisms of thiophene (C4H4S) over γ-Mo2N catalyst by means of density functional theory (DFT) calculations. The thiophene molecule preferentially adsorbs in a flat mode over 3-fold fcc nitrogen hollow sites. The HDS mechanism may potentially proceed either unimolecularly (direct desulfurization) or via H-assisted reactions (hydrogenation). Due to a sizable activation barrier required for the first Csingle bondS bond scission of 54.6 kcal/mol, we predict that the direct desulfurization to contribute rather very insignificantly in the HDS mechanism. Transfer of adsorbed hydrogen atoms on the γ-Mo2N surface to the thiophene ring substantially reduces activation barrier required in the Csingle bondS bond scission to only 24.1 kcal/mol in a process that affords an adsorbed C4H6* species and an S atom. Further hydrogenation of the unsaturated C4H6* produces 2-butene. Kinetics and thermodynamics attributes dictate the occurrence of partial rather than full hydrogenation of C4H6*. Calculated rate constants for all individual steps could be utilized to construct a robust kinetic model for the overall HDS process. Estimated conversion values of thiophene predict 50–70% consumption of thiophene at 700 K and low values of gas hourly space velocities. Reaction routes and kinetic parameters provided herein are useful to design stand-alone γ-Mo2N-based catalysts for applications entailing partial hydrogenation and hydrodesulfurization of severely contaminated S-fuels.

Publication Date
Wed Oct 24 2018
Journal Name
Chemistry Of Materials
Oxidant or Catalyst for Oxidation? A Study of How Structure and Disorder Change the Selectivity for Direct versus Catalytic Oxidation Mediated by Manganese(III,IV) Oxides
...Show More Authors

Structure type and disorder have become important questions in catalyst design, with the most active catalysts often noted to be “disordered” or “amorphous” in nature. To quantify the effects of disorder and structure type systematically, a test set of manganese(III,IV) oxides was developed and their reactivity as oxidants and catalysts tested against three substrates: methylene blue, hydrogen peroxide, and water. We find that disorder destabilizes the materialsthermodynamically, making them stronger chemical oxidantsbut not necessarily better catalysts. For the disproportionation of H2O2 and the oxidative decomposition of methylene blue, MnOx-mediated direct oxidation competes with catalytically mediated oxidation, making the most

... Show More
View Publication
Scopus (23)
Crossref (24)
Scopus Clarivate Crossref
Publication Date
Thu Dec 30 2021
Journal Name
Periodicals Of Engineering And Natural Sciences (pen)
Design a system for an approved video copyright over cloud based on biometric iris and random walk generator using watermark technique
...Show More Authors

View Publication
Scopus (53)
Crossref (11)
Scopus Crossref
Publication Date
Tue Dec 22 2020
Journal Name
Journal Of Accounting And Financial Studies ( Jafs )
The role of the Office of Financial Supervision in the federal control over health and sustainable development: Applied research in the Baghdad Soft Drinks Company
...Show More Authors

The study aims to indicate the role of strategic financial accounting  in the service investors  to take appropriate decisions in the future, Through what is provided by the strategic accounting, the future of information and data that enable the investor to make future investment decisions appropriate، If no longer traditional financial accounting putting meet all existing and prospective investors Requirements، That reliance on historical data and information already signed and neglected aspect of future, From this point it was to highlight the role of strategic financial accounting to contribute in this area.

View Publication Preview PDF
Publication Date
Thu Feb 01 2024
Journal Name
Journal Of Thermal Analysis And Calorimetry
Heat transfer and fluid flow characteristics over a backward-facing step (BFS) containing square-rectangular ribs integrated as forward-facing steps (FFS)
...Show More Authors

View Publication
Scopus (5)
Crossref (3)
Scopus Clarivate Crossref
Publication Date
Mon Aug 25 2014
Journal Name
Biology
Vesicular Trafficking Defects, Developmental Abnormalities, and Alterations in the Cellular Death Process Occur in Cell Lines that Over-Express Dictyostelium GTPase, Rab2, and Rab2 Mutants
...Show More Authors

View Publication
Scopus (3)
Crossref (3)
Scopus Crossref
Publication Date
Tue Oct 21 2025
Journal Name
Al–bahith Al–a'alami
US Policy Image Regarding the Middle East Region as Reported by the Iraqi Newspapers (An Analytical Study of the Public Opinion in Editorials: Al-Sabah, Al-Mashriq and Tariq Al-Shaab Papers Over the Period from 1st of July to 30th of September 2013)
...Show More Authors

The present study is an attempt to throw light on the nature of the US policy regarding the Middle East region as portrayed by AI-Sabah, Al-Mashriq and Tariq Al-Shaab papers over a period of three months from 1st of July to 30th of September 2013.

In writing this study, a number of goals have been set by the researcher. These goals may include but in no way limited to the nature of the US image as carried by the above three papers, the nature of the topics tackled by them and the nature of the Arab countries which received more and extensive coverage than others.

A qualitative research approach is proposed for the study. This approach has allowed the researcher to arrive at definite answers for the possible questions rais

... Show More
View Publication Preview PDF
Crossref
Publication Date
Thu May 18 2023
Journal Name
Journal Of Engineering
Prediction of Coefficient of Permeability of Unsaturated Soil
...Show More Authors

A simple technique is proposed in this paper for estimating the coefficient of permeability of an unsaturated soil based on physical properties of soils that include grain size analysis, degree of saturation or water content, and porosity of the soil. The proposed method requires the soil-water characteristic curve for the prediction of the coefficient of permeability as most of the conventional methods. A procedure is proposed to define the hydraulic conductivity function from the soil water characteristic curve which is measured by the filter paper method. Fitting methods are applied through the program (SoilVision), after indentifying the basic properties of the soil such as Attereberg limits, specific gravity, void ratio, porosity, d

... Show More
View Publication Preview PDF
Crossref (1)
Crossref
Publication Date
Wed Mar 23 2022
Journal Name
Journal Of Educational And Psychological Researches
Measurement of Appreciation of Clothes of University’s Students
...Show More Authors

Clothes are considered a means of aesthetic and artistic expression that help to hide the flaws of the body and highlight its merits , it has importance in people's lives as it reflects the individual's idea of himself and his personality. Whereas  the appreciation  in clothing  is a reflection of a person's sense of artistic components and the application of this sense to the clothes of his choice. Regarding the differences in clothing tastes by the university students according to the following variables (gender, specialization, stage of study,  age, monthly income), the current research is considered quantitative descriptive research that is concerned with studying a phenomenon that exists in reality, measuring it

... Show More
View Publication Preview PDF
Publication Date
Sun Dec 01 2019
Journal Name
Journal Of Economics And Administrative Sciences
The extent of the contribution of the determinants of organizational support in the enhancement of the mental status of banking services - A study of the views of a sample of employees in a number of banks in the city of Dohuk
...Show More Authors

     The objective of this study is to determine the extent to which the determinants of organizational support contributed to enhancing the mental status of banking services in a number of banks in Dohuk governorate in order to diagnose the correlation between the perceived organizational support and the mental status of services. Availability in the environment of banks and to enhance the mental position from the point of view of customers as the main hypotheses focused on the nature of the relationship between the dimensions of research among them has been tested these hypotheses using statistical and descriptive methods have been The study concluded that the contribution of organizational support, which is

... Show More
View Publication Preview PDF
Crossref (1)
Crossref
Publication Date
Mon Sep 03 2018
Journal Name
Al-academy
Transformations of the form of postmodern arts in the projects of students of the Department of Art Education
...Show More Authors

The art of postmodernism has undergone a number of changes in the course of art and art schools, as art has left the traditional means and paved the way for this artistic transformation to change the materials, techniques, methods and visions as a result of the changes that occurred in the thought and this change played an important role in the artist's vision, To demolish and destroy all of the above and to reconsider the formal systems and intellectual contexts and expressive modes, so it is necessary for the whole art to keep up with the variables of the era and its elements. The current research aims to: "Detect the transformations of form in postmodern art in the projects of students of the Department of Art Education".

Sinc

... Show More
View Publication Preview PDF
Crossref