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 development of analytical techniques is required for the accurate and comprehensive detection and measurement of antibiotic contamination in the environment. Metronidazole is a common antibacterial, antiprotozoal, and antibiotic drug. Thiamine is a vital biological and medicinal ingredient that is involved in the metabolism of proteins, fats, and carbohydrates that produce energy. The study aims to identify the drugs in a mixture without separation to provide more information to confirm if a drug is present in a combination. Metronidazole and thiamine are two examples of pharmaceutical and environmental samples that can be identified using spectrophotometric techniques because of their low cost and simplicity of use. The operati
... Show MoreThe aim of this research is to study the surface alteration characteristics and surface morphology of the superhydrophobic/hydrophobic nanocomposite coatings prepared by an electrospinning method to coat various materials such as glass and metal. This is considered as a low cost method of fabrication for polymer solutions of Polystyrene (PS), Polymethylmethacrylate (PMMA) and Silicone Rubber (RTV). Si were prepared in various wt% of composition for each solutions. Contact angle measurement, surface tension, viscosity, roughness tests were calculated for all specimens. SEM showed the morphology of the surfaces after coated. PS and PMMA showed superhydrophobic properties for metal substrate, while Si showed hydroph
... Show MoreThis paper presents the results of experimental investigations to predict the bearing capacity of square footing on geogrid-reinforced loose sand by performing model tests. The effects of several parameters were studied in order to study the general behavior of improving the soil by using the geogrid. These parameters include the eccentricity value, depth of first layer of reinforcement, and vertical spacing of reinforcement layers. The results of the experimental work indicated that there was an optimum reinforcement embedment depth at which the bearing capacity was the highest when single-layer reinforcement was used. The increase of (z/B) (vertical spacing of reinforcement layer/width of footing) above 1.5 has no effect on the re
... Show MoreIndirect electrochemical oxidation of phenol and its derivatives was investigated by using MnO2 rotating cylinder electrode. Taguchi experimental design method was employed to find the best conditions for the removal efficiency of phenol and its derivatives generated during the process. Two main parameters were investigated, current density (C.D.) and electrolysis time. The removal efficiency was considered as a response for the phenol and other organics removal. An orthogonal array L16, the signal to noise (S/N) ratio, and the analysis of variance were used to test the effect of designated process factors and their levels on the performance of phenol and other organics removal efficiency. The results showed that th
... Show MoreTwo different oxidative desulfurization strategies based on oxidation/adsorption or oxidation/extraction were evaluated for the desulfurization of AL-Ahdab (AHD) sour crude oil (3.9wt% sulfur content). In the oxidation process, a homogenous oxidizing agent comprising of hydrogen peroxide and formic acid was used. Activated carbons were used as sorbent/catalyst in the oxidation/adsorption process while acetonitrile was used as an extraction solvent in the oxidation/extraction process. For the oxidation/adsorption scheme, the experimental results indicated that the oxidation desulfurization efficiency was enhanced on using activated carbon as catalyst/sorbent. The effects of the operating conditions (contact time, temperat
... Show MoreIn this study, the circulating fluidized bed was used to remove the Tetracycline from wastewater utilizing a pistachio shell coated with ZnO nanoparticles. Several parameters including, Tetracycline solution flowrate, initial static bed height, Tetracycline initial concentration and airflow rate were systematically examined to show their effect on the breakthrough curve and the required time to reach the adsorption capacity and thus draw the fully saturated curve of the adsorbent. Results showed that using ZnO nanoparticles will increase the adsorbent surface area and pores and as a result the adsorption increased, also the required time for adsorbent saturation increased and thus the removal efficiency may be achieved at mi
... Show MoreOrthogonal polynomials and their moments have significant role in image processing and computer vision field. One of the polynomials is discrete Hahn polynomials (DHaPs), which are used for compression, and feature extraction. However, when the moment order becomes high, they suffer from numerical instability. This paper proposes a fast approach for computing the high orders DHaPs. This work takes advantage of the multithread for the calculation of Hahn polynomials coefficients. To take advantage of the available processing capabilities, independent calculations are divided among threads. The research provides a distribution method to achieve a more balanced processing burden among the threads. The proposed methods are tested for va
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