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.
Background: Chondrosarcoma is the second most frequent primary malignant tumor of bone. It is considered relatively an uncommon tumor. Generally it is not common for chondrosarcoma to attend huge size; however, one type was described as mesenchymal chondrosarcoma of low grade cartilaginous cells, with female predominance which can grow to exceptionally large size. Case Presentation: We report a case of Chondrosarcoma, in 30 years old woman of 4 years duration, with a huge mass (weighted 16 Kg) and roughly measured 40x30 x20cm, around the right shoulderInvestigations: Repeated MRI of the shoulder and trunk revealed a clear plane of cleavage between the tumor mass and the chest and abdominal walls and absence of invasion of the abdomen. Ul
... Show MoreIslamic jurisprudence is a divine approach capable of confronting all developments that occur in human society and giving appropriate solutions to them. The research discussed opinions related to some contemporary issues according to the rule of no excess or negligence and according to the rules of removing hardship and facilitating in order to reach the appropriate legal ruling for the nature of the situation to which it may be exposed. Man is in paradise, and the research emphasizes the necessity of taking into account the aspect of precaution when deciding on issues, such as the rules of change and the removal of embarrassment
Since the beginning of Philosophical thinking, philosophers had interested in matters that related to psychology. Greek philosophy had sought different psychological cases such as knowledge, thought, sense, and cognition. Plato classified cognitive processes and distinguished between intelligence, emotions, and desires. As Aristotle believed that soul is the essence of human beings that characterize it from other creatures. Regarding the European philosophy, Descartes linked the optics field to psychology that comprises theories about visual perception. Then, john Watson who interested in behaviorism, he believes that the interpretation of behavior will be materialistic. However, the evolutionary view had great effect on psychology that
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Background : Bone infections is one of the most challenging orthopaedic complications, with considerable morbidity. There is significant impact on the life of the patients; socially, financially, physically, and mentally and it could be a limb-threatening complication. Osteomyelitis is a bone infection usually caused by bacteria, including mycobacteria, but mainly Staphylococcus aureus which is the most commonly responsible bacteria . Aim of study: To evaluate our management policy of chronic osteomylitis (C.O.M).
Methods : 32 patients presented with different types &forms of chronic osteomyelitis in many sites of long & flat bones such as tibia , femur, ,humerus ,iliac bones and knee joint , which are not response to previous
in the present investigation new eight poly esrers as schiff bases wich containing pendant imine group were synthesized by treatment of poly acryloyl chlodire with ethanol amine group were synthesized by treatment of poly acryloyl chloride with ethanol
The issue of epistemology is one of the theological issues that were and still is a relentless pursuit of knowledge, knowing the true knowledge of certainty. Therefore, it formed a main focus because of its great importance expressing the deep desire of the human soul to explore the self and reality and answer all the questions that it may raise. Knowledge is the highest function. For man to exist.
Therefore, the establishment of epistemology was general in knowledge, a characteristic that was distinguished, as it is an ancient and renewed subject that is still being raised and raised, although there are many methods of treating it and sacred solutions to it. To finally prove its potentia
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The science of interpretation is considered one of the most important sciences due to its primacy and high status. Because knowledge is honored with the honor of its owner and related to it, and the science of interpretation is related to the Book of God, and from this importance emerges the importance of writing on a subject (from the terms of social organization in the Holy Qur’an); Because it deals with a matter that is considered a necessity in a place, and I called the research (from the terms of social organization in the Holy Qur’an - an analytical study), and the reason for choosing this topic was to clarify those terms and link them to our contemporary reality in order for them to be beacons of guidance and guidance for thos
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