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.
م. د. ولاء طارق حميد, Al. Qadisiya journal for the Sciences of Physical Education, 2017
Abstract
This study aims to evaluated the user satisfaction of retrieval services
concerning to universities thesis and dissertations in university dissertation
unit of Baghdad Library for achieving the following objectives:
1- Evaluating the performance of this unit (thesis unit of Baghdad University
Library) regarding to users opinion.
2- Recognizing the reasons in this unit behind the case of non satisfaction of
its users and trying to find the suitable solutions.
To achieve those two objectives, the questionnaire tool was performed
and determined the user's satisfaction level by using a sample survey. 1118
graduated students were subjected to this experiment. The following main
results were appeared:<
A chemical study was carried out to evaluate the efficiency of the liver enzyme concertation and uric acid level and its antagonists in the serum of the professors exposed to chemicals in the laboratories of the University of Samarra and their comparison with the healthy people. The research included 25 samples of the exposed professors and 20 samples as a group of officers.
The results of the current study showed a significant increase in the level of AST, ALT in the serum of professors exposed to chemicals compared to healthy people. The results showed no significant increase in
... Show MoreBackground: Osteoid osteomaa benign tumor is unusual before the age of 5 or after age 30 and is more prevalent in men. The main symptom is pain, which is typically severe and responsible for nocturnal awakenings. The conditons usually diagnosed through radiological imagine and confirmed by Histopathology.
Objectives: To assess the effectiveness and the complications that had been risen during the surgical procedure of osteoid osteoma using en bloc resection.
Methods: (10) Patients diagnosed with osteoid osteomawere treated with enbloc surgical reseaction were included in this study.the study took place at Al Yarmouk teaching hospital.the from April 2017-october 2018 and included 10 patients..(7) male, (3) females.The mean age of th
The mechanical design of elevator elements is always performed by international standards. The engineer selects the appropriate elements of elevator according to catalogues without knowing scientific details. Therefore, a theoretical analysis is achieved at two operating conditions for guide rails (1) safety gear operation, and (2) running condition with the loads unevenly distributed on the elevator car. The guide rail is considered a continuous beam with variable supports. Then the British code is listed showing the equations used in it.
The theoretical equations showed that guide rails are never subjected to stress in simultaneous combined buckling and bending in the plane, where the bending moment is exerted. It is always a c
... Show MoreA survey of blood parasites among members of two species of Iraqi babblers Timaliidae,
Turodoides caudatus salvadori (de Fillipi, 1865) and Turdoides alterostris (Hartert, 1909)
was carried out in the middle and south of Iraq. Two species of haematozoa were recovered,
Haemoproteus turdoidus sp. nov. and Plasmodium relictum Grassi &Felleti. The description
of the new taxon is provided and discussed with pertinent literature.
In the present work, a program for calculating the coefficients of the Aplanatic Cassegrain Telescope (ACT) system, free from the effects of spherical and coma aberrations, were constructed. In addition, the two-mirrors of the optical system, as aspherical surfaces, were adopted. This means, that the two-equations of the mirrors are assumed to be polynomial function of five even terms only. The numerical method, least-squares curve fitting method to calculate the two-mirror coefficients system, was adopted. For choosing the values and ratios that give the best results, Rayleigh Criterion (Rayleigh Limit), for purpose of comparison and preference, was adopted.
Research summary
The researcher in theological sects finds that the controversial issues between the owners of the sects are many, filled with the books of the sects, articles and creeds, and when examining these books it became clear to us that the dispute is related, some of it is related to the meaning and some of it is related to the words and it is many, explained to us by rhetorical terminology such as guidance and delegation, Interpretation and others, and part of it is what is called the verbal disagreement, and sometimes it is by using common possible expressions of truth and falsehood, as in the saying of the Kharijites, “The judgment is only for God,” and some of it is related to something outside th