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 present work is concerned with the finding of the optimum conditions for biochemical wastewater treatment for a local tannery. The water samples were taken from outline areas (the wastewater of the chrome and vegetable tannery) in equal volumes and subjected to sedimentation, biological treatment, and chemical and natural sedimentation treatment.
The Box-Wilson method of experimental design was adopted to find useful relationships between three operating variables that affect the treatment processes (temperature, aeration period and phosphate concentration) on the Biochemical Oxygen Demand (BOD5).
The experimental data collected by this method were successfully fitted to a second order polynomial mathematical model. The most fa
In the present work, a program for calculating the coefficients of the Aplanatic Cassegrain Telescope (ACT) system, free from the effects of spherical and coma aberrations, were constructed. In addition, the two-mirrors of the optical system, as aspherical surfaces, were adopted. This means, that the two-equations of the mirrors are assumed to be polynomial function of five even terms only. The numerical method, least-squares curve fitting method to calculate the two-mirror coefficients system, was adopted. For choosing the values and ratios that give the best results, Rayleigh Criterion (Rayleigh Limit), for purpose of comparison and preference, was adopted.
Objective(s): To assess the types of violence among adolescents in Baghdad City.
A descripƟve study which was using the assessment approach was conducted on purposive sample of 60 parents of
adolescent for identify types of adolescents violence in their families, was selected according to specific criteria for
participating in health education program towards adolescents' violence control in Baghdad city.
Methodology: A questionnaire was constructed for the purpose of the study. It was consisted of two parts; the first
part which included the parents' demographic characteristics for parents (sex, age, educational level and socioeconomic
status); the second part included types of adolescent violence that reported by par
A survey of blood parasites among members of two species of Iraqi babblers Timaliidae,
Turodoides caudatus salvadori (de Fillipi, 1865) and Turdoides alterostris (Hartert, 1909)
was carried out in the middle and south of Iraq. Two species of haematozoa were recovered,
Haemoproteus turdoidus sp. nov. and Plasmodium relictum Grassi &Felleti. The description
of the new taxon is provided and discussed with pertinent literature.
Objectives: to evaluate the role of conservative, decompression, spine fixation in management of closed spinal injury.
Methods: The study was conducted at Specialized Surgical hospital and Al-Kadhemayia Teaching Hospital, in the period between July 2003 and July 2005.The study included 61 patients categorized Into many groups according level of vertebral injury (cervical, cervicodorsal, dorsal, dorsolumbar, Lumbar and lumbosacral), type of injury (compressed fracture, burst fracture and fracture dislocation) And according the severity into three groups as G1( complete motor paralysis and sensory loss ) G2 ( complete motor paralysis and incomplete sensory loss) and G3 ( incomplete motor paralysis And incomplete sensory loss ).The metho
ABSTRACT
Ticagrelor is an orally administered antiplatelet medicine, direct-acting P2Y12-receptor antagonist. Ticagrelor binds reversibly and noncompetitively to the P2Y12 receptor at a site distinct from that of the endogenous agonist adenosine diphosphate (ADP). Inhibition of platelet aggregation stimulated by ADP is a commonly used pharmacodynamic parameter for P2Y12-receptor antagonists.
Ticagrelor is a crystalline powder with an aqueous solubility of approximately 10?g/mL at room temperature.
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Background: Osteoid osteomaa benign tumor is unusual before the age of 5 or after age 30 and is more prevalent in men. The main symptom is pain, which is typically severe and responsible for nocturnal awakenings. The conditons usually diagnosed through radiological imagine and confirmed by Histopathology.
Objectives: To assess the effectiveness and the complications that had been risen during the surgical procedure of osteoid osteoma using en bloc resection.
Methods: (10) Patients diagnosed with osteoid osteomawere treated with enbloc surgical reseaction were included in this study.the study took place at Al Yarmouk teaching hospital.the from April 2017-october 2018 and included 10 patients..(7) male, (3) females.The mean age of th
A series of experiments have been taken out to test the validity of the effect of Aluminum hydrate on its interaction with Aluminum during sintering of aluminum metal matrix. The approach has been shown to be valid and several compositions have been fabricated. The alumina hydrate particle size and the amount of alumina hydrate in the composites are also shown to have an influence on the extent of densification.
The densities for all sintered specimens were measured. It was found that density increases as compaction pressure increases, the density decreases as particles size increases. At 400 MPa there is an optimum particles size which is (90-125) µm to reach maximum density and the density decreases as volume fraction increase
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