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.
The aim of the current research is to construct a scale of emotional adjustment for kindergarten children and to set a standard for its evaluation. To achieve this, a scale consisting of (19) items was prepared. The mother of the child answered by adopting the method of self-report, which is expressed in the form of reporting terms, as each item represents a situation in the child's life and each situation has three alternatives to answer that represent various responses to the mentioned situation. One of the alternatives represents the emotionally adaptive response, which is given a degree (3), the second response expresses the emotional adjustment partly that took the degree of (2), and the third response expresses the weakness of emot
... Show MoreThe research addresses smart city concept as it is the latest urban design trends, by the investment of the capabilities of human, and artificial intelligence for the sake of the advancement of the city. The concept of a smart city is described as one of the most important manifestations of the information revolution, with the end of the twentieth, and the beginning of twenty – first century, The research attributes the emergence of the concept to: deficiencies of means, and traditional methods in building and development of cities, as well as The significant increase in the number of city and global metropolises dwellers. So, smart city approach has been adopted, along with innovative principles and methods which cons
... Show MoreThis Investigation aims to study the effect of adding Steel fibers with different volume fractions Vf (o.5, 0.75, and 1% by volume of concrete) with aspect ratio 100 on mechanical properties of concrete, and also
finding the influence of petroleum products (Kerosene and Diesel) on mechanical properties of Steel Fiber Reinforced Concrete (SFRC).
The experimental work consists of two groups: group one consists of specimens (cubes and prisms) plain and concrete reinforced with steel fiber exposed to continuous curing with water. Group two consists of
specimens (cubes and prisms) plain and concrete reinforced with steel fiber exposed to kerosene and diesel after curing them in water for 28 days before exposure. The results of all te
The basic concept of diversity; where two or more inputs at the receiver are used to get uncorrelated signals. The aim of this paper is an attempt to compare some possible combinations of diversity reception and MLSE detection techniques. Various diversity combining techniques can be distinguished: Equal Gain Combining (EGC), Maximal Ratio Combining (MRC), Selection Combining and Selection Switching Combining (SS).The simulation results shows that the MRC give better performance than the other types of combining (about 1 dB compare with EGC and 2.5~3 dB compare with selection and selection switching combining).
An experimental and theoretical investigation of three phase direct contact heat transfer by evaporation of refrigerant drops in an immiscible liquid has been carried out. Refrigerant Rl2 and R134a were used for the dispersed phase, while water and brine were the immiscible continuous phase. A numerical analysis is presented to predict the temperature distribution throughout the circular test column radially and axially is achieved. Experimental measurements of the temperature distribution have been compared with the numerical results and are discussed .A comparison between the experimental and theoretical results showed acceptable agreement and applicability of the derived equations. Comparison with other related work showed similar beh
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Background: disturbed physiological rhythm of blood pressure in preeclampsia is a common finding. The role of oxidative stress in pathogenesis of preeclampsia is well accepted. Melatonin is a powerful free radical scavenger so it's rapidly consumed by enhanced reactive oxygen species in preeclampsia causing non-dipping in blood pressure.Objective: To evaluate the change in plasma melatonin levels in patients with preeclampsia and its relationship with blood pressure.Patients and methods: In this prospective case control study a total of 40 primigravidae pregnant women were recruited during the period of 11 months between August 2015 and August 2016 in Baghdad teaching hospital, medical city, Iraq, divided into two groups:First group
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This study was concerned with using ozone gas in drinking water treatment plant at Ibn-Sina Company. The main purpose of this research is to find the best contactor for ozone unit proposed. An investigation was conducted to study the absorption of ozone by water in two type of absorber. The effects of the process variables (such as height of water column, contact time, and pH) on the amount of ozone absorbed were investigated. Box-Wilson central composite rotatable design is used to design the experimental work for the mentioned variables. It was found that the optimum value of the variables studied was:
i) Height of water column (90 cm)
ii) Contact time (17-18 min)
iii) PH (7 - 7.5)
Hardly a society is devoid of manifestations of imitating the opposite sex with the disparity between societies in quantity and quality, as imitating the opposite sex is an old phenomenon, and whoever follows what the old researchers wrote on this subject, finds various sayings, some of which lack evidence, being a kind of guesswork, A generalization that is not based on what is evidenced by it, and others consider resemblance to a behavior in which an animal resembles a human being. I will highlight in this research the resemblance to the opposite sex in the cultures of peoples, making the study into three sections. The manifestations of resembling men and women spread in Greek society greatly, and then the second study was devoted to the
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