Hartree-Fock (HF) method relies in the calculations of nonlinear optical properties (NLO) for benzoic acid molecule. Also, another theoretical study is conducted by using the TD-DFT Density Functional Theory through B3LYP/High Base Set 6-311++G (2d,2p) on Gaussian program09. Moreover, an experimental study has been done to obtain the electrons spectrum for benzoic acid with and without ethanol. While the experimental study is done by using UV/VIS. spectrophotometer. Energy gap values of electronic transition between HOMO and LUMO is obtained from theoretical and experimental results. Consequently, the theoretical result for determining the energy gap calculated from EHOMO-LUMO wasvery close to the results of UV / VIS. spectrum. A theoretical method is considered extremely appropriate towards compounds capable of absorbing in vacuum UV.
This article investigates the development of the following material properties of concrete with time: compressive strength, tensile strength, modulus of elasticity, and fracture energy. These properties were determined at seven different hydration ages (18 h, 30 h, 48 h, 72 h, 7 days, 14 days, 28 days) for four pure cement concrete mixes totaling 336 specimens tested throughout the study. Experimental data obtained were used to assess the relationship of the above properties with the concrete compressive strength and how these relationships are affected with age. Further, this study investigates prediction models available in literature and recommendations are made for models that are found suitable for application to early age conc
... Show MoreIn this research PbS thin film have been prepared by chemical bath deposition technique (CBD).The PbS film with thickness of (1-1.5)μm was thermally treated at temperature of 100°C for 4 hours. Some Structural characteristics was studied by using X-ray diffraction (XRD)and optical microscope photograph some of chemical gas sensing measurements were carried out ,it shown that the sensitivity of (CO2) gas depend on the grain Size and deposition substrate. The grain size of PbS film deposited on on glass closed to 21.4 nm while 37.97nm for Si substrate. The result of current-voltage characterization shwon the sensitivity of prepared film deposited on Si better than film on glass.
Polyaniline polymer has been prepared by chemical oxidation
polymerization method in laboratory successfully. The PANI and
(PVA+PVP) as a polymer blends in different percentage (30%, 50%,
70%) from Polyaniline was prepared. The sample was studies as
optical properties by UV-vis spectrophotometer at (400-700) nm.
The result of optical energy gap was 2.23 eV for pure (PVA+ PVP)
and with additive was increasing with increasing PANI concentration
to become (2.49 for 30% to 2.52 for 70%) PANI. The goal of this
project is prepare triple blend polymer and study the effect when add
conductive polymer (Polyaniline) on the optical properties and
calculate optical constant as energy gap, refractive index, dielectric
Titanium-dioxide (TiO2) nanoparticles suspended in water, and ethanol based fluids have been prepared using one step method and characterized by scanning electron microscopy (SEM), and UV–visible spectrophotometer. The TiO2 nanoparticles were added to base fluids with different volume concentrations from 0.1% to1.5% by dispersing the synthesized nanoparticles in deionized water and ethanol solutions. The effective thermal conductivity, viscosity and pH of prepared nanofluids at different temperatures from 15 to 30 oC were carried out and investigated. It was observed that the thermal conductivity, pH, and viscosity of nanofluids increases with the increase in TiO2 nanoparticle volume fraction
... Show MoreThe x-ray fluorescence (XRF) of Znpc molecule with (flow of Ar) and Znpc molecule with (grow in N2) showed two peaks at (8.5and 9.5 Kv) referring to orbital transition ) K?-shell & K?-shell) respectively. The study of x-ray diffraction (XRD) where it was observed good growth of the crystal structure as a needle by the sublimation technique with a ?-phase of (monoclinic structure ) . Using Bragg equation the value of the interdistance of the crystalline plane (d-value) were calculated. We noticed good similarity with like once in the American Standards for Testing Material (ASTM) .Powder Diffraction File (PDF) Program was used to ensure the information obtained from (ASTM) . The output of (PDF) was compared with celn program, where the val
... Show MoreThis paper presents the thermophysical properties of zinc oxide nanofluid that have been measured for experimental investigation. The main contribution of this study is to define the heat transfer characteristics of nanofluids. The measuring of these properties was carried out within a range of temperatures from 25 °C to 45 °C, volume fraction from 1 to 2 %, and the average nanoparticle diameter size is 25 nm, and the base fluid is water. The thermophysical properties, including viscosity and thermal conductivity, were measured by using Brookfield rotational Viscometer and Thermal Properties Analyzer, respectively. The result indicates that the thermophysical properties of zinc oxide nanofluid increasing with nanoparticle volume f
... Show MoreThe D.C. electrical properties of poly (ethylene oxide)/MgCl2 composites were investigated as a function of different MgCl2 filler concentrations (0, 5, 10, 15 and 20 wt.%) and different temperatures in the range (276–333)o K at three different polarizing fields. Resistivity:ï² and dc Conductivity: σ dc were measured, and the activation energy: Ea of the thermal rate-process of the electrical conduction was investigated. It was found that the current-voltage measurement results exhibited Ohmic resistance behavior, the composites exhibit negative temperature reliance of resistivity and enhancement in the D.C. electrical conductivity with both temperature and MgCl2 concentration. The determined activation energy was found to
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