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.
Digital Models of Elevations (DEMs) Using Surfer 16, which are interpolated to create three-dimensional controls for the entire terrain, are typically used in visualization of geospatial entities. The interpolation method used determines how accurate the resulting terrain model will be, hence it is necessary to compare the effectiveness of various approaches in this situation. Numerous generic interpolation techniques, using inverse distance to a power, triangulation as with linear interpolation, the nearest neighbor, and kriging, have been studied. These interpolation techniques produced DEMs. With the aid of SURFER software 16, the primary goal of this effort was to introduce the DEM using a spatial interpolation method and to pre
... Show MoreGreen buildings are considered more efficient than traditional buildings due to the incorporated techniques and the multidisciplinary specializations required to comply with their specifications, in addition to the advanced commissioning, which undergoes before handing over the buildings to the owners to ensure requirements conformance. As a result, the appropriate selection of a project delivery system acts as the essential factor that affects the performance of the project. This research aims at building a system that helps to select the best method to implement green buildings. Through studying the recent research approaches in project delivery systems, the factors that affect the selection of the optimal implementation method fo
... Show MoreThe main aim of this study is to assess the performance and residual strength of post-fire non-prismatic reinforced concrete beams (NPRC) with and without openings. To do this, nine beams were cast and divided into three major groupings. These groups were classified based on the degrees of heating exposure temperature chosen (ambient, 400, and 700°C), with each group containing three non-prismatic beams (solid, 8 trapezoidal openings, and 8 circular openings). Experimentally, given the same beam geometry, increasing burning temperature caused degradation in NPRC beams, which was reflected in increased mid-span deflection throughout the fire exposure period and also residual deflectio
Nanoparticles have gained considerable interest in recent times for oil recovery purposes owing to significant capabilities in wettability alteration of reservoir rocks. Wettability is a key factor controlling displacement efficiency and ultimate recovery of oil. The present study investigates the influence of zirconium (IV) oxide (ZrO2) and nickel (II) oxide (NiO) nanoparticles on the wetting preference of fractured (oil-wet) limestone formations. Wettability was assessed through SEM, AFM and contact angle. The potentials of the nanoparticles to alter oil-wet calcite substrates water wet, was experimentally tested at low nanoparticle concentrations (0.004–0.05 wt%). Quite similar behaviour was observed for both nanoparticles at the same
... Show MoreThis study investigates the influence of five nanomaterials nano-alumina (NA), nano-silica (NS), nano-titanium (NT), nano-zinc oxide (NZ), and carbon nanotubes (CNT)on enhancing the fatigue resistance of asphalt binders. NA, NS, and NT were incorporated at dosages of 2%, 4%, 6%, 8%, and 10%, while NZ and CNT were added at 1%, 2%, 3%, 4%, and 5%. A series of physical, rheological, and performance-based tests were conducted, including penetration, softening point, ductility, and rotational viscosity. Based on the outcomes of the overall desirability evaluation, the first three dosages of each nanomaterial were selected for further testing due to their superior workability and binder flexibility. Subsequent investigations included the high-tem
... Show MoreThe implementation of nanotechnology in all industries is one of most significant research fields. Nanoparticles have shown a promising application in subsurface fields. On the other hand, various surfactants have been used in the oil industry to reduce oil/water interfacial tension and also widely used to stabilize the nano-suspensions. The primary objective of this study was to investigate the improvements of surfactants ability in term of interfacial tension (γ) reduction utilizing addition of silicon dioxide nanoparticles at different temperatures and salinity. The pendant drop technique has been used to measure γ and electrical conductivity has been used to measure the critical micelle concentration (CMC). The synergistic effects of
... Show MoreAdversity and psychosocial stress are involved in aging through the following pathways. psychological stress enhances the nerve system to secrete endocrine mediators (hormones). Mitochondrial respiration mediates energy production stimulated by binding to these hormones to their receptors. Energy produced by mitochondria accelerates metabolism and, in its turn, leads to increases in reactive oxygen species (ROS) of free radicals. Cellular stress and accumulation of damage can result from an excess of ROS. Accumulation of damage comprises damages in telomeric and nontelomeric DNA, in addition to mitochondrial DNA. Mitochondrial DNA damage plays an important role in increasing the pathway of p53/p21. The expression of the PGC-1α gene is inhi
... Show MoreTo explore the durability of some local species of wood to fungal deterioration among the
storage period, this research has conducted on three species Eufcalyptus cammaldulensis,
Juglans regia, presence of some genus of fungi; Aspergillus, Penicillium,Botryoderma,
Chaetomium, Phoma, Cladosporium and Pacilomyces in different intensities.
The two fungi Aspergillus and Penicillium appeared more dominants than others, therefore
they were chosen for the pathogenicity test. The results showed that the two species of fungi
preferred Juglans wood firstly were the size of infection was more than 10 times of any of the
other two woods. Eucalyptus showed similar response to that of Morus, but with Aspergillus
it was few bett