In this paper, thermal properties were performed by using semi-empirical theoretical calculations to study the molecular structure of a nonlinear molecular system, the (S2F2) molecule in the infrared region, by using semi-empirical quantum programs in the (MNDO / PM3) method. This study is under the condition of obtaining the stable structure of the molecule in which the molecule obtains the minimum value of the total energy. The thermodynamic properties were also calculated, including the heat of formation, whose value was (-61.002kcal / mol), the entropy and its value (78.2916 cal / mol.k), as well as the heat capacity (15.9454 cal / mol.k) and the enthalpy (3763.434 cal /mol), Gibbs Free Energy, it was valued at (-19567.5 cal / mol), these values were taken at the standard temperature 298 k, withdrawing these relationships in graphs and showing the changes in the state That the molecule passes through, and comparing these values with the experimental results.
In this paper synthesis and extensive investigation of the microstructural and optoelectronic properties of polyaniline (PANI), Multiwalled carbon nanotube (MWCNTs) and MWCNTs reinforced PANI composites is presented. MWCNTs- PANI composites have been deposited by spin coating on silicon wafer substrate. Fourier Transform Infrared Spectroscopy shows no difference between PANI and its composites. However a change in peaks shape and absorption intensity has been observed. A strong effect of the MWCNTs weight percentage on the PANI/MWCNTs composites has been demonstrated. It was find that the thermal stability improved with increasing MWCNTs content. The optical band gap of the PANI thin
Background: Facial disfigurement can be the result of a congenital anomaly, trauma or tumor surgery, in many cases the prosthetic rehabilitation is indicated. Maxillofacial prosthetic materials should have desirable and ideal physical, aesthetic, and biological properties and those properties should be kept for long period of time in order to reach patient acceptance. Silicone elastomer are the most commonly used material for facial restoration because of its favorable properties mechanically and physically as the biocompatibility and good elasticity. Aim of this study: This study aimed to evaluate the effect of addition of Aluminum oxide (Al2O3) Nano fillers in different concentrations on tear strength and hardness of VST 50F room tempe
... Show MoreIn this study we examine variations in the structure of perovskite compounds of LaBa2Cu2O9, LaBa2CaCu3O12 and LaBa2Ca2Cu5O15 synthesized using the solid state reaction method. The samples’ compositions were assessed using X-ray fluorescence (XRF) analysis. The La: Ba: Ca: Cu ratios for samples LaBa2Cu2O9, LaBa2CaCu3O12 and LaBa2Ca2Cu5O15 were found by XRF analysis to be around 1:2:0:2, 1:2:1:3, and 1:2:2:5, respectively. The samples’ well-known structures were then analyzed using X-ray diffraction. The three samples largely consist of phases 1202, 1213, and 1225, with a trace quantity of an unknown secondary phase, based on the intensities and locations of the diffraction peaks. According to the measured parameters a, b, and c, every sa
... Show MoreIn order to accurately diagnose Entamoeba spp., this study's major goal was to develop a proof-of-concept method for simultaneously detecting pathogenic and non-pathogenic amoebae using DNA. During amoebiasis, two diagnostic techniques (microscopic inspection and PCR techniques with particular primers) were evaluated. About 100 feces samples from Fallujah individuals who had clinical symptoms were taken. The outcome reveals that only 20 samples have Entamoeba spp. infections. According to this study, the two species had distinct infection percentages. Entamoeba histolytica was the most prevalent infection, at 85%, followed by Entamoeba dispar, which was 15% of all the Entamoeba-positive sampl
... Show MoreIn the present work, the ternary compound MgxZn7-x O7Wurtzoid with variable Zn and Mg contents was analyzed using density functional theory with B3LYP 6-311G**basis set. The electronic and vibrational properties of MgxZn7-xO7 wurtzoids, were investigated, including energy gaps, bond lengths, spectral properties, such like infrared spectra and Raman. IR and Raman spectra were compared with experimental longitudinal optical modes frequency results. The theoretical results agree well with experiments and previous data. It has been found that the energy gap is increasing with the increased Mg concentration, and that the longitudinal optical position exposes a UV shift movement with an increase in the concentration.
A reseach is carried out by using Alumina material type α-Al2O3 which has partical size 63μm doped with different percentage weight of MgO (0.1%,0.3%and0.5%) and by using dry press method to prepare the samples ,A force press 50KN used and sintering to 1500oC with soaking time of 6 hours. The physical properties were studied such as "Bulk density ,Porosity and water absorption "also the mechanical properties such as (hardness,compressive strength ), the result shows that the best ratio of maginsa(MgO) added to Alumina (Al2O3)is 0.5%and this worked to improve Physical and mechanical properties .
The synthesis , characterization and mesomorphic behaviour of new Nacyl , thiourea and imidazole derivatives which derived from corresponding Schiff bases are reported. All the synthesized compounds which contain flexible methylene group in the centre of the molecule did not show any liquid crystalline properties . The derivatives of N- acyl [III]e and thiourea [VI]e which contain biphenyl and all compounds with one phenyl in the centre of the molecule display liquid crystalline behaviour .While the imidazoles did not show any liquid crystalline properties except [V]b [V]e with biphenyl in the centre of the molecule . All th
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