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 any language there is some amount of difference between written language (planned) and spoken language (spontaneous). Since planned speech could be considered a form of written language, it could be inferred that there are also differences between planned speech and spontaneous speech. Some of these differences are very clear in terms of syntax, lexis, phonology and discourse. These differences are highlighted in order to make a clear distinction between spontaneous and planned speech.
This paper is an attempt to show the differences between the two forms of a language (written & spoken English) as far as number of linguistic features are tackle
... Show MoreComplexes of Au (III), Pd (II), Pt (IV ) and Rh(III) with S–propynyle-2- thiobenzimidazole (BENZA) have been prepared and characterized by IR and UV- Visible spectral methods in addition to magnetic and conductivity measurements and micro–elemental analysis (CHN).The probable structures of the new complexes have been suggested.
New series of imidazole[1,2-a]pyridine-sulfonamides was designed and synthesized from 2-aminopyridine, which was reacted with p-bromo phenacyl bromide in the present of MgO to produce the corresponding imidazole[1,2-a]pyridine, which was then reacted with chlorosulfonic acid to produce 2-(4-bromophenyl)imidazole[1,2-a]pyridine-3-sulfonyl chloride [2]. Following that, treatment of (2) with different amines using the grand method to generate imidazole [1,2-a] pyridine sulfonamides. All the synthesized compounds have been characterized by FTIR, 1HNMR and 13CNMR and C.H.N analysis. The DFT, POM analysis and molecular docking were carried out on for all final compounds to investigate drug like attributes, and the results revealed showed that the
... Show MoreIn this study, Al2O3 thin films were prepared by dc reactive sputtering technique using different gas mixtures of argon and oxygen gases (90:10, 70:30, 50:50, 30:70, and 10:90). These films were characterized to introduce their surface morphology and elemental composition as functions of the oxygen content in the gas mixture. The gas mixing ratio plays a crucial role in controlling the nanoscale morphology of the prepared thin films. The [Al]/[O] ratio varies non-linearly with the Ar:O2 mixing ratio. Increasing the oxygen content leads to a progressive decrease in surface roughness, resulting in smoother and more uniform films with finer granular features. These results presented herein are useful to optimize the sputtering process to ac
... Show MoreTungsten inert gas arc welding–based shaped metal deposition is a novel additive manufacturing technology which can be used for fabricating solid dense parts by melting a cold wire on a substrate in a layer-by-layer manner via continuous DC arc heat. The shaped metal deposition method would be an alternative way to traditional manufacturing methods, especially for complex featured and large-scale solid parts manufacturing, and it is particularly used for aerospace structural components, manufacturing, and repairing of die/molds and middle-sized dense parts. This article presents the designing, constructing, and controlling of an additive manufacturing system using tungsten inert gas plus wire–based shaped metal deposition metho
... Show MoreAn efficient combination of Adomian Decomposition iterative technique coupled Elzaki transformation (ETADM) for solving Telegraph equation and Riccati non-linear differential equation (RNDE) is introduced in a novel way to get an accurate analytical solution. An elegant combination of the Elzaki transform, the series expansion method, and the Adomian polynomial. The suggested method will convert differential equations into iterative algebraic equations, thus reducing processing and analytical work. The technique solves the problem of calculating the Adomian polynomials. The method’s efficiency was investigated using some numerical instances, and the findings demonstrate that it is easier to use than many other numerical procedures. It has
... Show MoreBased on Lyapunov exponent criterion, the aircraft lateral-directional stability during critical flight cases is presented. A periodic motion or limit cycle oscillation isdisplayed. A candidate mechanism for the wing rock limit cycle is the inertia coupling between an unstable lateral-directional (Dutch roll) mode with stable longitudinal (short period) mode. The coupling mechanism is provided by the nonlinear interaction of motion related terms in the complete set equations of motion. To analyze the state variables of the system, the complete set of nonlinear equations of motion at different high angles of attack are solved. A novel analysis including the variation of roll angle as a function of angle of attack is proposed. Furthermore
... Show MoreIn this paper two axis sun tracking method is used to absorb maximum power from the sun's rays on the solar panel via calculating the sun’s altitude and azimuth angles, which describe the solar position on the Iraqi capital Baghdad for the hours 6:00, 7:00, 8:00, 9:00, 12:00, 15:00 and 17:00 per day. The angles were calculated in an average approach within one month, so certain values were determined for each month. The daily energy achieved was calculated for the solar tracking method compared with the fixed tracking method. Designed, modeled and simulated a control circuit consisting of reference position truth table, PI Controller and two servomotors that tracked the sun position to adjust the PV panel perpendicular
... Show MorePolyaniline films were successfully synthesized in this study using an oxidative polymerization method at temperatures ranging from 0 to 4 ° C. Polyaniline films were deposited using a single step of chemical oxidative polymerization rather than electrochemical polymerization. The polyaniline was examined using FTIR, XRD, SEM, AFM, and Four Point Probe. This result demonstrates that polyaniline synthesized using this method has a uniform morphology, small size (17 to 40) nm, high crystallinity, and high conductivity (9.42 s/cm).
Objective This research investigates Breast Cancer real data for Iraqi women, these data are acquired manually from several Iraqi Hospitals of early detection for Breast Cancer. Data mining techniques are used to discover the hidden knowledge, unexpected patterns, and new rules from the dataset, which implies a large number of attributes. Methods Data mining techniques manipulate the redundant or simply irrelevant attributes to discover interesting patterns. However, the dataset is processed via Weka (The Waikato Environment for Knowledge Analysis) platform. The OneR technique is used as a machine learning classifier to evaluate the attribute worthy according to the class value. Results The evaluation is performed using
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