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.
Extemporization is the ability of the actor to reflect his internal being. It gives a sort of confidence and an ability to show the personal countenance of the role away from tension and rigidity. By extemporization, it is possible to deal with and criticize the real living life so it is an intellectual, emotional, sensual, and perceptive process connected with the psychological energy and the emotional memory and all this goes under the control of the director and his instigations and instructions depending on what the text involves of intellectual, social and psychological motivators so it primarily depends on talent, chance and discussion. The research involves four chapters; the first contains the problem
... Show MoreIn this research was study the effect of increasing the number of layers of the semiconductor films as PbS on the average grain sizes and illustrate the relationship between the increase in the average grain size and thickness of the membrane, and membrane was prepared using the easy and simple and does not need the complexity of which is that the chemical bath , and from an X-ray diffraction found that the material and the installation of a random cubic and when increasing the number of layers deposited note the emergence of a number of vertices of a substance and PbS at different levels but the level is more severe (200) as well as the value is calculated optical energy gap and found to be not affected by increase thickness and from th
... Show MoreThe supreme administrative court has been constituted under law no.17 for 2013 ,the fifth amendment of the state consultive council no.65 for 1979 .it's constitutions is regarded as a quantitive development on the level of administrative judiciary in Iraq ,for the purpose of fulfilling the requirements of the dual judicial system ,Which demands it's existence on the head of the administrative courts besides ,it's constitution has settled the situation and disassemble the interference and the overlap in the specialty of the administrative judiciary and constitutional judici
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The production of fission products during reactor operation has a very important effect on reactor reactivity .Results of neutron cross section evaluations are presented for the main product nuclides considered as being the most important for reactor calculation and burn-up consideration . Data from the main international libraries considered as containing the most up-to-date nuclear data and the latest experimental measurements are considered in the evaluation processes, we describe the evaluated cross sections of the fission product nuclides by making inter comparison of the data and point out the discrepancies among libraries.
Assume that is a meromorphic fuction of degree n where X is compact Riemann surface of genus g. The meromorphic function gives a branched cover of the compact Riemann surface X. Classes of such covers are in one to one correspondence with conjugacy classes of r-tuples ( of permutations in the symmetric group , in which and s generate a transitive subgroup G of This work is a contribution to the classification of all primitive groups of degree 7, where X is of genus one.
A cinematic shot is the basis of the film, regardless of the size, angle, or motion of this shot. However, the size of the footage and the process of showing or hiding the scene or cinematic personality has a certain speciality related to the nature of cinematic treatment and the type of the movie especially those characterized by the employment of the close-ups to induce ambiguity or spread the mental image of the dramatic events and this relationship between the close-up and horror films is what prompted the researcher to identify the title of the search as follows:
Dramatic utilization of Close-Up in Horror Movies
The research is divided as follows:
The methodological fram
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In order to reduce the losses due to evaporation in the stored crude oil and minimizing the decrease in °API many affecting parameters were studied (i.e. Different storage system, namely batch system with different types of storage tanks under different temperatures and:or different pressures). Continuous circulation storage system was also studied. It was found that increasing pressure of the inert gas from 1 bar to 8 bar over the surface of the crude oil will decrease the percentage losses due to evaporation by (0.016%) and decrease the change of °API by (0.9) during 96 hours storage time. Similarly using covering by surfactant (potassium oleate) or using polymer (polyurethane foam) decreases the percentage evaporation losses compare
... Show MoreAbstract: In this research, nanofibers have been prepared by using an electrospinning method. Three types of polymer (PVA, VC, PMMA) have been used with different concentration. The applied voltage and the gap length were changed. It was observed that VC is the best polymer than the other types of polymers.
In this research, a mathematical model of tumor treatment by radiotherapy is studied and a new modification for the model is proposed as well as introducing the check for the suggested modification. Also the stability of the modified model is analyzed in the last section.
The aim of the research is to identify the attitudes of Iraqi youth
towards volunteering work by using the survey method and the scale
tool to identify what young volunteers can carry from the attitudes
towards volunteering work because the phenomenon of volunteer
work is of great importance in society. The scale was applied to
(525) volunteers among Iraqi youth. The research reached a set
of results, the most prominent of which is the existence of positive
trends among young people towards volunteering work, meaning
that Iraqi youth volunteers have awareness of the concept of
volunteering correctly. As for their goals of volunteering, they are
humanitarian and social goals for the advancement of society, an