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.
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)
Todays, World is faced an energy crisis because of a continuous increasing the consumption of fuels due to intension demand for all types of vehicles. This study is one of the efforts dealing with reduce the weight of vehicles by using a new material of sandwich steel, which consists of two skin steel sheets with core of a polymer material. Resistance spot welding (RSW) can be easily implemented on metals; however a cupper shunt tool was designed to perform the resistance welding of sandwich steel with DP800 cover sheets to resolve a non-conductivity problem of a polymer core. Numerical simulations with SORPAS®3D were employed to test the weldability of this new material and supported by many practical experiments. In conclus
... Show MoreAn 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
... Show MoreBackground Several studies have addressed the prevalence of Toxoplasma gondii (T. gondii), among Parkinson’s disease (PD) patients in different countries, and the potential association between the infection and PD; the results of these studies were conflicting. The study aims to investigate the prevalence of Toxoplasma infection among sample of Iraqi PD patients. Also, to examine the potential association of age, PD duration, gender, smoking habit, zone of residence and family history of PD, with the prevalence of Toxoplasma infection in PD patients.
Patients and Methods Seventy-four PD patients attaining Dr. Saad Al-Witry Neuroscience Hospital in Baghdad/ Ir
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This work represents implementation and investigation of optical coherent communication system between two computers. A single mode optical fiber is selected as transmission medium. The data are sent via the RS-232 standard interface with a bit rate of 9.6 kbps from personal computer (PC1) by line receive to convert the data from electrical levels (-12/+12 V) into TTL level (0/5 V). The modulation of this data was accomplished by internal modulation using laser diode type (HFCT-5208M) 1310 nm wavelength. The optical D-coupler was used to combine the optical signal that come from laser source with optical signal of laser local oscillator (OTS-304XI) at 1310/1550 nm wavelength to obtain coherent (homodyne and heterodyne) detection respective
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The Tel Hajar formation in the studied area has been divided into five microfacics units:
1) Fine hiogenic dolomite facies.
2) Sandy rich dolomite facies.
3) Dolomite diagenetic facies.
4) Recrystal1ized wackestone in microfacies.
5) Mudsione facies.
Microfacics reflect shallow marine water with open Circulation in the lower part of the formation and the environment of the upper is enclosed between upper tide and tide. The most important diagenesis was recrystallization and spary calcite deposit inside fossils chambers and pores.
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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.
Background: The vaginal microbial ecosystem stability preclude many other organisms but sometimes the vaginal micro biota is disturbed and this cause change in the normal
balance causing symptoms of vulvuvaginitis like abnormal or increased vaginal discharge, redness and itching.
Objective: To prove C. albicans presence in their vagina clinically and laboratory by culture of vaginal swab on two media.
Type of the study: This study is a case control study
Methods: This study is a case control study in which 100 clinically patient women admitted to maternity hospital in kalar city and khanaqin hospital during the pe
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