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 effect of irradiation and exposure time of laser light on the fluorescence emission of DCM dye in PMMA polymer contained in the composition mold using different metals have been investigated. It was found that the fluorescence intensity decreases as the exposure time increases and then reaches stabilization at long times. The effect of the incident laser power on fluorescence intensity of DCM dye in PMMA polymer at 10-3 M and 20% mixing ratio, using copper disks of composition molds, has been studied too. It was observed that there is an upward knick in the curve at laser intensity of 19.2 W/cm2, which may be associated with the threshold for amplified spontaneous emission (ASE) or laser action. And at intensity higher than about 88.
... Show MoreIn 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 MoreThe 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
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 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 MoreIn this study, titanium dioxide (TiO2) nanoparticles incorporated with cement were synthesis by a simple casting method as a function concentration of TiO2 (0.2, 0.4, 0.8, 1, and 2 wt%). The prepared samples were characterized using the technique of Field Emission Scanning Electron Microscope (FESEM) and UV-Visible spectrophotometer, which was used to measure the adsorption spectra. The observed photocatalytic efficiency of TiO2 nanoparticles (NP) incorporated with cement was investigated by decomposing the dye methyl blue (MB) solution under sunlight irradiation. According to the slope, the value of the k constant at the best sample is 0.8wt%, k=0.8265 min-1. FESEM image of the TiO2
... Show MoreThe thermal degradation of cable ties of polyamide (PA6,6) neat and UV stabilized was investigated by thermogravimetry (TG) and its derivative (DTG) at several heating rates between 5 and 80 oC min-1 in helium atmosphere. High heating rates signal novel peaks in the DTG curves that indicate melting temperature of PA6,6. The kinetic parameters calculated via isoconversion and nonisothermal data using the Flynn-Wall-Ozawa, Kissinger and CoatsRedfern methods showed comparable activation energy values. Exposure of the ties to outdoor environment causes pre-mature stress cracking and brittle failure due to prevalence of crosslinking reaction occurring in the polymer chains
The research is dealing with the absorption and fluorescence spectra for the hybrid of an Epoxy Resin doped with organic dye Rhodamine (R6G) of different concentrations (5*10-6, 5*10-5, 1*10-5, 1*10-4, 5*10-4) Mol/ℓ at room temperature. The Quantum efficiency Qfm, the rate of fluorescence emission Kfm (s-1), the non-radiative lifetime τfm (s), fluorescence lifetime τf and the Stokes shift were calculated. Also the energy gap (Eg) for each dye concentration was evaluated. The results showed that the maximum quantum effi
... 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