Electronic properties such as density of state, energy gap, HOMO (the highest occupied molecular orbital) level, LUMO (the lowest unoccupied molecular orbital) level and density of bonds, as well as spectroscopic properties like infrared (IR), Raman scattering, force constant, and reduced masses for coronene C24, reduced graphene oxide (rGO) C24O5and interaction between C24O5and NO2gas molecules were investigated. Density functional theory (DFT) with the exchange hybrid function B3LYP with 6-311G** basis sets through the Gaussian 09 W software program was used to do these calculations. Gaussian view 05 was employed as a supplementary software to investigate the geometrical structure of C24, C24O5and the interaction of C24O5with NO2gas molecule. It shows the energy gap of coronene C243.5 eV because the effect of quantum confinement and the Coulomb interaction geometry greatly influence the quasi-particle band gap and C24Oxwhere x = 1–7 was from 0.89 eV to 1.6862 eV a function of number of oxygen atoms and compared with the experiment value of graphene oxide which was between 1 eV and 2.2 eV. The spectroscopic properties were compared with the experiment value of graphene, graphene oxide and NO2longitudinal optical (LO) modes of 1 585, 1 582 and 1 600 cm−1, respectively. The transition state of the interaction of rGO with nitrogen dioxide and Gibbs energy, enthalpy, activation entropy and reaction at various temperatures between 25°C and 100°C were calculated. The activation energy of C24O5with nitrogen dioxide decreases with increasing temperature.
In this study, two correlations are developed to calculate absolute rocks permeability from core samples tested by Gas Permeameter Apparatus. The first correlation can be applied if K g≤100, the second correlation can be applied if Kg>100. Sixty core samples having different permeabilities to give a wide range of values that necessary to achieve a correlation.
The developed correlation is easily applied and a quick method to avoid repeating the test at different pressure values. Only one pressure test is required to reach absolu
... Show MoreThe aim of this paper, is to study different iteration algorithms types two steps called, modified SP, Ishikawa, Picard-S iteration and M-iteration, which is faster than of others by using like contraction mappings. On the other hand, the M-iteration is better than of modified SP, Ishikawa and Picard-S iterations. Also, we support our analytic proof with a numerical example.
In this study, mixing of zinc oxide (ZnO) nanoparticles with iron oxide(Fe2O3) at (0, 0.1, 0.3, 0.5 and 1)%wt., are deposited on glass substrates by pulsed laser deposition (PLD) technique for study characterization ZnO:Fe2O3 as solar cell electrode. The profound effect of mixed film on the structural and optical of ZnO: Fe2O3 thin films was observed. Meanwhile, the films have polycrystalline Hexagonal structures for ZnO, Rhombohedra and cubic structure for Fe2O3, and as indicated by the X-ray diffraction patterns of the films. The mean crystallite size of ZnO increase with increasing mixed ratio. The direct energy
... Show MoreSix ERI profiles using Wenner Schlumberger array were carried out at Baghdad University (ALJadiriya campus) to investigate soil at two sites. The spacing between electrodes of four profiles surrounding the new building in the Campus at the first site is 1 m, and the profile length ranges from 50 to 90 m. In comparison, two across profiles in the garden to detect water seepage in the site. The inverted model of the studied profiles shows many high and low resistivity zone. The sedimentology and mineralogy of the soil samples analysis from a depth range of 15 to 100 cm from three pits confirm the high homogeneity of the soil in the studied site composed of (silt and clay). The low resistivity values coincided with the moisture a
... Show MoreThe research illustrated that the theory of constraints is "A group of concepts and basics that aim at helping the management in order to determine the difficulties and how to overcome these difficulties through determining the necessary change and how these change can be done efficiently and effectively ".
The research showed that the theory of constraint including its tools calls for magnifying throughput, constricting the product cycle , determining the optimal production mix , utilization of scare resources and canceling the idle time , that achieving throughput increasing then increasing profit .
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... Show MoreIn this article, the notions are introduced by using soft ideal and soft semi-open sets, which are - - - -closed sets " -closed" where many of the properties of these sets are clarified. Some games by using soft- -semi, soft separation axioms: like ( 0 ( 0 Using many figures and proposition to study the relationships among these kinds of games with some examples are explained.