The semiempirical (PM3) and DFT quantum mechanical methods were used to investigate the theoretical degradation of Indigo dye. The chemical reactivity of the Indigo dye was evaluated by comparing the potential energy stability of the mean bonds. Seven transition states were suggested and studied to estimate the actually starting step of the degradation reaction. The bond length and bond angle calculations indicate that the best active site in the Indigo dye molecule is at C10=C11. The most possible transition states are examined for all suggested paths of Indigo dye degradation predicated on zero-point energy and imaginary frequency. The first starting step of the reaction mechanism is proposed. The change in enthalpy, Gibbs free energy and change in entropy of the overall reaction are equal to -548268.223 kcal/mol, 30831.951 kcal/mol and 48.552 cal/mol.deg, respectively. The activation energy is 46176.405 kcal/mol. The reaction rate is equal to .
The study area lies in the eastern part of Iraq, within Diyala and small parts of Salah Al-Din and Sulamanyah Governorates. The eastern boundary of the map represents Iraqi-Iranian International borders; it covers about 7001 Km2.The present study depends on two scenes of Thematic Mapper (TM5) data of Landsat and one scene of Multi-Spectral Scanner (MSS) data of Landsat, these data are subset and corrected within the ERDAS 9.2 software using UTM N38 projection. Normalized Difference Vegetation Index (NDVI) was adopted as practical tool for monitoring the surrounding area of Himreen Lake. The obtained result shows the distributions of NDVI for period 1976-1992 were positive pattern of (High vegetation density and Moderate vegetation densit
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Ground Penetrating Radar (GPR) method has been used in the province of Babylon, the ancient city (constituted mounts zoona) archeological site The study area is located South of the city of Hilla by 40 km between longitudes 44˚ 24΄ 40˝ E to 44˚ 27΄ 00˝ E, and latitudes 32˚ 31΄ 10 ˝ N to 32˚ 33΄ 00˝ N,
The type of GPR that used in the survey fieldwork was of Malå Geoscience / Sweden type (RAMAC /GPR). The constituted mounts zoona district are surveyed using Seventy – four parallel profiles trending S-N ,N-S , E-W and W-E using the available antenna 160 MHz and 450 MHz, with Five meter spacing between each other are acquired the round-trip survey was conducted for ease and speed of
... Show MoreIn this research the active volume for a number of solid-state detectors of the type of high-purity germanium (HPGe) crystal was evaluated with different radii and depths using scanning method for diagonal (front) and lateral (side). It has been used for this purpose Monte-Carlo efficiency program after its development by adding a subroutine-program for its (subroutine scanning).Also a program has been written to calculate the stopping power and range for incident charged particle on the detector, in order to determine the exact sufficient energy to stop it inside the detector material. The calculations of our results of efficiency were compared with the results of published efficiency and the comparison is very good in terms of improvin
... Show MoreIn this study, SnO2 nanoparticles were prepared from cost-low tin chloride (SnCl2.2H2O) and ethanol by adding ammonia solution by the sol-gel method, which is one of the lowest-cost and simplest techniques. The SnO2 nanoparticles were dried in a drying oven at a temperature of 70°C for 7 hours. After that, it burned in an oven at a temperature of 200°C for 24 hours. The structure, material, morphological, and optical properties of the synthesized SnO2 in nanoparticle sizes are studied utilizing X-ray diffraction. The Scherrer expression was used to compute nanoparticle sizes according to X-ray diffraction, and the results needed to be scrutinized more closely. The micro-strain indi
... Show MoreIn this study, concentrations of radon were measured for seventeen samples of soil distributed in three Sulphuric Spring, in addition to other regions as a background in Hit City in AL-Anbar Governorate. The radon concentrations in soil samples measured by using alpha-emitters registration that emits from radon (222Rn) in (CR-39) track detector. The concentrations values were calculated by a comparison with standard samples. The results show that the radon concentrations in first spring varies from (258.253- 347.762 Bq/m3), second spring (230.374-305.209 Bq/m3), third spring (292.002-336.023 Bq/m3) and the average radon concentration in other regions (187.821 Bq/m3). As a conclusion of the study radon concentration in Sulphuric Spring is r
... Show MoreThis study aims to demonstrate the morphotectonic evidence (drainage pattern, formations of sedimentary rocks, structural ridge deformations and spectral reflectance differences…etc.) for tectonic uplift with the syncline zone between two major anticlines, Kirkuk anticline in the northeast and Qara Chauq anticline in the southwest. The study area is located in the low folded zone at the geographical coordinates of 35º 45´ to 35º 55´ North and 43º 30´ to 44º 00´ East. In this study, the tectonic uplift was named as Dushwan uplift, because the uplift of the rocks was adjacent to Dushwan village.
The regional stress, originating from the collision of the Arabian plate with the E
... Show MoreTwo simple and sensitive spectrophotometric methods are proposed for the determination of amitriptyline in its pure form and in tablets. The first method is based on the formation of charge- transfer complex between amitriptyline as n-donor and tetracyano-ethylene (TCNE) as πacceptor. The product exhibit absorbance maximum at 470 nm in acetonitrile solvent (pH =9.0 ) . In the second method the absorbance of the ion- pair complex, which is formed between the soughted drug and bromocresol green (BCG), was measured at 415 nm at ( pH=3.5) . In addition to classical univariate optimization, modified simplex method (MSM) was applied in the optimization of the variable affecting the color producing reaction by a geometric simple
... Show MoreThe numerical resolve nonlinear system of Volterra integral equation of the second kind (NLSVIEK2) has been considered. The exponential function is used as the base function of the collocation method to approximate the resolve of the problem. Arithmetic epitome are performed which have already been solved by weighted residual manner, Taylor manner and block- by- block(2, 3, 5).
This study aims to find the effect of water-cement ratio on the compressive strength of concrete by using ultrasonic pulse velocity test (UPVT). Over 230 standard cube specimens were used in this study, with dimensions of 150mm, and concrete cubes were cured in water at 20 °C. Also, the specimens used in the study were made of concrete with varied water-cement ratio contents from 0.48 to 0.59. The specimens were taken from Diyarbakir-Turkey concrete centers and tested at the structure and material science lab, civil engineering, faculty of engineering from Dicle University. The UPV measurement and compressive strength tests were carried out at the concrete age of 28 days. Their UPV and compressive strength ranged
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