The activation and reaction energies of the C-C and C-H bonds cleavage in pyrene molecule are calculated applying the Density Functional Theory and 6-311G Gaussian basis. Different values for the energies result for the different bonds, depending on the location of the bond and the structure of the corresponding transition states. The C-C bond cleavage reactions include H atom migration, in many cases, leading to the formation of CH2 groups and H-C≡C- acetylenic fragments. The activation energy values of the C-C reactions are greater than 190.00 kcal/mol for all bonds, those for the C-H bonds are greater than 160.00 kcal/mol. The reaction energy values for the C-C bonds range between 56.497 to 191.503 kcal/mol. As for the C-H cleavage reactions the activation energies range from 163.535 to 165.116 kcal/mol, the reaction energies are nearly constant, 117.500kcal/mol. The geometries of the transition states and reaction products are discussed too.
The contamination of soil with the wastes of oil industry products that are complex mixtures of hydrocarbons increased recently due to the large development of oil industries in Iraq. This study deals with the remediation of low permeability contaminated clayey soil by using the enhanced electrokinetic technique (EK). The contaminated soil samples obtained from Thi-Qar oil refinery plant in Al-Nassyriah city, where the byproducts of refinery plant are disposed into that site. The byproduct contaminant treated as total petroleum hydrocarbons (TPH) to avoid dealing and complexity of treating the individual minerals and compounds consisting the contaminant. The initial concentrations of TPH were (702.7, 1168, 1235) ppm in the contaminated s
... Show MoreImproving the accuracy of load-deformation behavior, failure mode, and ultimate load capacity for reinforced concrete members subjected to in-plane loadings such as corbels, wall to foundation connections and panels need shear strength behavior to be included. Shear design in reinforced concrete structures depends on crack width, crack slippage and roughness of the surface of cracks.
This paper illustrates results of an experimental investigation conducted to investigate the direct shear strength of fiber normal strength concrete (NSC) and reactive powder concrete (RPC). The tests were performed along a pre-selected shear plane in concrete members named push-off specimens. The effectiveness of concrete compressiv
... Show MoreCarbon Nanopowder was fabricated by arc discharge technique at deposition pressure of 10-5 mbar Argon gas on glass substrates. The prepared carbon nano- powder was collected from chamber and purified with nitric acid at 323K .The morphology and crystalline structure of the prepared powder was examined by X-Ray Diffraction (XRD), Atomic Force Microscope (AFM), and Scanning Electron Microscope (SEM). XRD spectrums showed that the powder exhibits amorphous structure and after purification, the powder showed hexagonal structure with a preferential orientation along(002) direction ,where AFM and SEM gave very compatible estimation on the grain size and shape of the nanopowder.
The ability of pulverized walnut-shell to remove oil from aqueous solutions has been studied. It involves two-phase process which consists of using walnut-shell as a filtering bed for the accumulation and adsorption of oil onto its surface. Up to 96% oil removal from synthetic wastewater samples was achieved while tests results showed that 75% of oil can be removed from the actual wastewater discharged from Al- Duara refinery in the south of Baghdad.
The impact of a simple trailing-edge plain flap on the aerodynamics of the SD7037 airfoil have been studied in this paper using computational fluid dynamics at Reynolds number of 3×105 across various low angles of attack and flap deflection angles. The computational model was evaluated by using Star CCM+ software with κ--ω SST turbulence and gamma transition model to solve Navier-Stokes equations. The accuracy of the computational model has been confirmed through comparison with experimental data, showing a high level of agreement at low angles of attack. The findings revealed that specific combinations of angles of attack and flap deflection angles could increase the lift-to-drag ratio by over 70% compared to baseline conditions, benefi
... Show MoreIn this study, the performance of the adaptive optics (AO) system was analyzed through a numerical computer simulation implemented in MATLAB. Making a phase screen involved turning computer-generated random numbers into two-dimensional arrays of phase values on a sample point grid with matching statistics. Von Karman turbulence was created depending on the power spectral density. Several simulated point spread functions (PSFs) and modulation transfer functions (MTFs) for different values of the Fried coherent diameter (ro) were used to show how rough the atmosphere was. To evaluate the effectiveness of the optical system (telescope), the Strehl ratio (S) was computed. The compensation procedure for an AO syst
... Show MoreIn this study some generic commercial products of Atorvastatin tablets were evaluated by dissolution test in acid medium by comparing with that of parent drug Lipitor of Pfizer Company. Some of solubilizing agents were studied in formulation of Atorvastatin tablet including; surface active agent and PEG 6000 .The most effective factor was the use of PEG6000 in formulation of Atorvastatin tablet which improved the dissolution and the results of dissolution profile of formulated tablet in this work was bioequivalent to that of Lipitor .The quantitative analysis of this work was performed by using reversed phase liquid chromatography and a proper mixture of  
... Show MoreIn this research the performance of 5G mobile system is evaluated through the Ergodic capacity metric. Today, in any wireless communication system, many parameters have a significant role on system performance. Three main parameters are of concern here; the source power, number of antennas, and transmitter-receiver distance. User equipment’s (UEs) with equal and non-equal powers are used to evaluate the system performance in addition to using different antenna techniques to demonstrate the differences between SISO, MIMO, and massive MIMO. Using two mobile stations (MS) with different distances from the base station (BS), resulted in showing how using massive MIMO system will improve the performance than the standar
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