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.
Autism is a lifelong developmental deficit that affects how people perceive the world and interact with each others. An estimated one in more than 100 people has autism. Autism affects almost four times as many boys than girls. The commonly used tools for analyzing the dataset of autism are FMRI, EEG, and more recently "eye tracking". A preliminary study on eye tracking trajectories of patients studied, showed a rudimentary statistical analysis (principal component analysis) provides interesting results on the statistical parameters that are studied such as the time spent in a region of interest. Another study, involving tools from Euclidean geometry and non-Euclidean, the trajectory of eye patients also showed interesting results. In this
... Show More
(3)
This research aims to study and reveal the influence of Bauhaus principles in contemporary graphic design. The researcher determined the objective/spatial/temporal limit: Study of the Bauhaus influence in the design of the graphic poster in Germany in 2020. The theoretical framework in the first section dealt with (the emergence and factors of the emergence of the Bauhaus school and its characteristics), while the second topic dealt with (the intellectual, functional and aesthetic data of the Bauhaus School), after which the indicators that resulted from the theoretical framework were produced.
He mentioned four previous studies, one of them was discussed in detail. In the third chapter he defined the methodology, society, and sam
... Show More
The appropriateness of the verses and surahs of the Qur’an, and the connection of their structures, is one of the aspects of the miraculousness of the Holy Qur’an, and it is an honorable knowledge by which the intellect guesses, and by which the value of the one who says what he says is known, and this science was written to appear in the early fourth century AH.
The occasion makes the parts of speech entwined with each other, so that connection is strengthened, and the composition becomes the same as the case of a tight construction that is compatible with the parts.
The Holy Qur’an has adopted a unique approach in its presentation of issues, in contrast to all previous and subsequent approaches. Sometimes he mentions a part
Orthogonal polynomials and their moments have significant role in image processing and computer vision field. One of the polynomials is discrete Hahn polynomials (DHaPs), which are used for compression, and feature extraction. However, when the moment order becomes high, they suffer from numerical instability. This paper proposes a fast approach for computing the high orders DHaPs. This work takes advantage of the multithread for the calculation of Hahn polynomials coefficients. To take advantage of the available processing capabilities, independent calculations are divided among threads. The research provides a distribution method to achieve a more balanced processing burden among the threads. The proposed methods are tested for va
... Show More
(6)
(5)
Membrane manufacturing system was operated using dry/wet phase inversion process. A sample of hollow fiber membrane was prepared using (17% wt PVC) polyvinyl chloride as membrane material and N, N Dimethylacetamide (DMAC) as solvent in the first run and the second run was made using (DMAC/Acetone) of ratio 3.4 w/w. Scanning electron microscope (SEM) was used to predict the structure and dimensions of hollow fiber membranes prepared. The ultrafiltration experiments were performed using soluble polymeric solute poly ethylene glycol (PEG) of molecular weight (20000 Dalton) 800 ppm solution 25 °C temperature and 1 bar pressure. The experimental results show that pure water permeation increased from 25.7 to 32.2 (L/m2.h.bar) by adding a
... Show More
Spider veins are a common aesthetic problem mainly in females , the conventional method of treatment is by microsclerotherapy (injections) but laser therapy has become increasingly efficacious and a convenient method for treatment. The present study was performed to investigate the effectiveness and safety of pulsed diode laser (810nm) by doing thermal photocoagulation. Ten patients with lower limbs spider veins were included in this prospective study. They were treated with a repetitive pulsed diode laser in non contact technique using the following laser parameters (wave length 810nm,power 1 W ,pulse duration 0.1 s., pulse interval 0.5 s, spot diameter 4mm ,power density 7.9 W/cm2). Laser therapy was performed on day zero and day fourt
... Show More
The main objective of this research is to use the methods of calculus ???????? solving integral equations Altbataah When McCann slowdown is a function of time as the integral equation used in this research is a kind of Volterra
Are the actions and rulings of God Almighty justified by intentions and purposes or not? This is a matter of the minutes of the science of theology in which there was a wide difference between the Islamic groups, especially the verbal ones.
This study is an attempt to reach the correct opinion or to avoid it, and to clarify the disagreement that took place in this issue, especially in the Ash'ari school of thought, and it is also an attempt to reconcile opinions as much as possible, and to explain what may appear to be disagreements among some.
Therefore, I divided this research into two topics, and issued it with an introduction in which I defined the terms that are related to the explanation.