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.
Objective(s): In the present study, glycerin is used as a substitute for tin-foil and cold mold seal (Alginate mould seal)
in the process of curing heat and cold-cure acrylic resin denture base against stone and plaster.
Methodology: 60 specimens were prepared from heat-cure acrylic resin and cold-cure acrylic resin denture base. The
study includes 12 groups of specimens depending on the type of processing, investment material and type of
separating medium that are used in curing process. Each group of them contains 5 specimens for each test.
Some of physical properties of the processed acrylic denture base that (water sorption and solubility) have been
compared with those processed using tin-foil and tin-foil substitut
Eight soil samples were selected around Najaf governorate at depth levels 40-50 cm. X-Ray Fluorescence (XRF) was used to determine the concentrations of major and trace elements. Liner and mass attenuation coefï¬cient (µ, µÏ) have been determined at gamma energies (662, 1172,1332) keV using NaI (Tl) detector. The range of linear attenuation coefficients for calculated samples were (0.553-1.163) cm-1, (0.122-0.178) cm-1 and (0.049-0.105) cm-1 at (662, 1172,1332) keV respectively. The range of mass attenuation coefficients obtained (0.39-0.76) cm2/gm, (0.087-0.117) cm2/gm and (0.0336-0.074) cm2/gm at (662, 1172,1332) keV respectively. The result
... Show MoreIn the present work, lead silicate glasses have been prepared with
different amount of lead oxide content. Structure properties such as
X-ray diffraction, AFM, and FTIR analyses have been done. The
exceeding of PbO content more than 25wt% revealed a decreasing in
density. The X- ray revealed that the strongest peak related to
Hexagonal silica dioxide and the other crystal phases formed were
related to silica oxide (SiO2) and lead oxide (PbO). Growth and
decayed phases in X-ray have been observed with changing lead
oxide content. Homogeneous surface was obtained using AFM
analyzer with an average diameter around 100 nm. Infrared spectrum
is characterized by the presence of large absorption band between
120
The change in the optical properties for samples of pure PVA and PVA /K2CrO4composite have been studied .The samples were prepared with different percentage (1,3,5,and 7)%wt of K2CrO4 by casting method technique .In this work ,we are study the absorption ,reflectance spectra ,absorption coefficient, energy gap ,extinction coefficient ,and transmittance spectra as a function of wavelength range (200-800)nm ,Also real and imaginary part of dielectric constant have been studied in the range of wave length .The results exhibit the optical properties change by the increase of K2CrO4 concentration, and the values of energy gap for indirect transitions decrease by the increase of the concentration of K2CrO4
... Show MoreThe local asphalt concrete fracture properties represented by the fracture energy, J-integral, and stress intensity factor are calculated from the results of the three point bending beam test made for pre notches beams specimens with deformation rate of 1.27 mm/min. The results revealed that the stress intensity factor has increased by more than 40% when decreasing the testing temperature 10˚C and increasing the notch depth from 5 to 30mm. The change of asphalt type and content have a limited effect of less than 6%.
Cadmium Oxide thin films were deposited on glass substrate by spray pyrolysis technique at different temperatures (300,350,400, 500)oC. The optical properties of the films were studied in this work. The optical band-gap was determined from absorption spectra, it was found that the optical band-gap was within the range of (2.5-2.56)eV also width of localized states and another optical properties.