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 fluorescence and absorption spectra of Fluoranthene dissolved in
cyclohexane and ethanol were studied and analyzed. The effect of the
concentration of this molecule and the polarity of the solvents on the spectral
shifts and on relative intensity has been investigated. A computational program
was written in order to convert the spectra from grapher to data. Some
photophysical parameters such as oscillator strength and quantum efficiency have
been calculated. Fluorescence quantum efficiency of Fluoranthene was measured
relative to Quinine Sulfate (QS) in 1N H2SO4. The obtained values were (0.5) in
cyclohexane and (0.45) in ethanol
In this study is the phenomenon of desertification risk assessment in the Abu Ghraib area west of Baghdad/Iraq, which has an area of about (384.168 km 2), that the annual mean temperature is more than (22 C). Rainfall was low, ranging from the (200 mm) per year for Iraq and (2.82) mm per year of the study area* temperature is high and evaporation is also high (mm 7.73) per year*, so the climate in general of the dry type and the system of soil moisture is the kind of Aridic (Torric). To this study was to identify three indicators to monitor for the period from 2001-2005 using GIS and these indicators are (soil, groundwater and the nature of land use), using ArcGIS 9.1. The results showed that the risk of desertification was part of the leve
... Show MoreIn this paper, a theoretical study was introduced to discussion the Influence of donor senstizer on efficiency of solar cell with clear focusing on dye senstized solar cell DSSCs applications was presented. Use of donor as -sensitizer dye in solar cells was a viable contender in photovoltaics due to their spectrum of excited state to transfer more elkectrons to conduction band of semiconductor .In this study, two systems Alq3/ZnO and D149/ZnO devices taken with same two solvents .Transtion energy ,coupling strength and transtion parameters are used to calculate the electron current density , it uses to calculate the photovoltic characteristic I-V ,fill factor and the efficiency of th
... Show MoreSolid‐waste management, particularly of aluminum (Al), is a challenge that is being confronted around the world. Therefore, it is valuable to explore methods that can minimize the exploitation of natural assets, such as recycling. In this study, using hazardous Al waste as the main electrodes in the electrocoagulation (EC) process for dye removal from wastewater was discussed. The EC process is considered to be one of the most efficient, promising, and cost‐effective ways of handling various toxic effluents. The effect of current density (10, 20, and 30 mA/cm2), electrolyte concentration (1 and 2 g/L), and initial concentration of Brilliant Blue dye (15 and 30 mg/L) on
The PET scans provide images that pinpoint the anatomic location of abnormal metabolic activity within the body. A radionuclide suitable for labeling a wide range of radiopharmaceuticals for positron emission tomography imaging is used also for local therapy of tumors. Among the possible methods for cyclotron production of radionuclide used in PET. We investigate the proton irradiation to produce the standard radionuclide (15O, 11C,1 3N, 18F) and some non-standard Radionuclide (76Br,124I,60Cu,66Ga,86Y and 89Zr). The total integral yield based on the main published and approved experimental results of excitation functions were calculated.
The - mixing ratios of -transitions from levels in populated in the reactions are calculated in present work using - ratio, constant statisticalTensor and least squares fitting methods The results obtained are in general, in good agreement or consistent, within the associated uncertainties, with these reported in Ref.[9],the discrepancies that occurs are due to inaccuracy existing in the experimental data The results obtained in the present work confirm the –method for mixed transitions better than that for pure transition because this method depends only on the experimental data where the second method depends on the pure or those considered to be pure -transitions, the same results occur in – method
This study synthesized nanocomposite photocatalyst materials from a mixture of Cu2O nanoparticles, ZnO nanoparticles, and graphene oxide (GO) through coprecipitation and hydrothermal methods. This study aims to determine the optimum composition of Cu2O/ZnO/GO nanocomposites in degrading methylene blue. The nanocomposite was synthesized in two steps: 1 the synthesis of Cu2O and ZnO nanoparticles through the coprecipitation method and the preparation of GO through the modified Hummer method. 2 The preparation of Cu2O and ZnO nanoparticles mixtures with GO through the hydrothermal method to form Cu2O/ZnO/GO nanocomposites. The adsorption-photocatalysis process of methylene blue
... Show MoreThis work is a trial to ensure the absolute security in any quantum cryptography (QC) protocol via building an effective hardware for satisfying the single-photon must requirement by controlling the value of mean photon number. This was approximately achieved by building a driving circuit that provide very short pulses (≈ 10 ns) for laser diode -LD- with output power of (0.7-0.99mW) using the available electronic components in local markets. These short pulses enable getting faint laser pulses that were further attenuated to reach mean photon number equal to 0.08 or less.
An optical system including quantum dot cylindrical Fresnel lens (CFL) has been designed by using Zemax optical designing program. Quantum dot cylindrical Fresnel lens has a relatively small thickness compared to conventional lenses and high absorbance. It contains grooves in the form of parallel lines, and each groove represents an individual lens that works to change the path of light falling on it to a single focal line. (CFL) is characterized by its small focal length despite its large area and small thickness, due to the nature of its design that gives this feature, which is applied in many optical systems (imaging and non- imaging system). In this paper, the visual properties of the (CFL) were studied as it is one of the impor
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