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 .
An idea of a colored glaze is presented in this study to hide and dispose all the obstacles of using solar systems as facades integrated with buildings. This aim is achieved by designing multilayer optical interference filters by using Mat lab program . Appropriate dielectric materials, namely NdF3 of high refractive index (nH =1.6) and ThF4 of low refractive index (nL =1.5143) were employed. Quarter wave thicknesses of high (H) and low (L) refractive index were deposited on a microscopic slide substrate with n=1.513 and 550 nm design wavelength (l°). Two optical models were designed, which are Air//HL//glass and Air//LH//glass, for even numbers of layers (2-32 lay
... Show MoreThe electrocoagulation process became one of the most important technologies used for water treatment processes in the last few years. It’s the preferred method to remove suspended solids and heavy metals from water for treating drinking water and wastewater from textile, diary, and electroplating factories. This research aims to study the effect of using the electrocoagulation process with aluminum electrodes on the removal efficiency of suspended solids and turbidity presented in raw water and optimizing by the response surface methodology (RSM). The most important variables studied in this research included electrode spacing, the applied voltage, and the operating time of the electrocoagulation process. The samples
... Show MoreThe researchers have a special interest in studying Markov chains as one of the probability samples which has many applications in different fields. This study comes to deal with the changes issue that happen on budget expenditures by using statistical methods, and Markov chains is the best expression about that as they are regarded reliable samples in the prediction process. A transitional matrix is built for three expenditure cases (increase ,decrease ,stability) for one of budget expenditure items (base salary) for three directorates (Baghdad ,Nineveh , Diyala) of one of the ministries. Results are analyzed by applying Maximum likelihood estimation and Ordinary least squares methods resulting
... Show MoreForest fires continue to rise during the dry season and they are difficult to stop. In this case, high temperatures in the dry season can cause an increase in drought index that could potentially burn the forest every time. Thus, the government should conduct surveillance throughout the dry season. Continuous surveillance without the focus on a particular time becomes ineffective and inefficient because of preventive measures carried out without the knowledge of potential fire risk. Based on the Keetch-Byram Drought Index (KBDI), formulation of Drought Factor is used just for calculating the drought today based on current weather conditions, and yesterday's drought index. However, to find out the factors of drought a day after, the data
... Show MoreThis paper describes theoretical modeling of electrostatic mirror based on two cylindrical electrodes, A computational investigation has been carried out on the design and properties of the electrostatic mirror. we suggest a mathematical expression to represent the axial potential of an electrostatic mirror. The beam path by using the Bimurzaev technique have been investigated as a mirror trajectory with the aid of Runge – Kutta method. the electrode shape of mirror two electrode has been determined by using package SIMION computer program . The spherical and chromatic aberrations coefficients of mirror has been computed and normalized in terms of the focal length. The choice of the mirror depends on the op
... Show MoreTested effective Alttafaria some materials used for different purposes, system a bacterial mutagenesis component of three bacterial isolates belonging to different races and materials tested included drug Briaktin
One-third of the total waste generated in the world is construction and demolition waste. Reducing the life cycle of building materials includes increasing their recycling and reuse by using recycled aggregates. By preventing, the need to open new aggregate quarries and reducing the amount of construction waste dumped into landfills, the use of recycled concrete aggregate in drum compacted concrete protects the environment. Four samples of PRCC were prepared for testing (compressive strength, tensile strength, flexural strength, density, water absorption, porosity) as the reference mix and (10, 15, and 20%) of fine recycled concrete aggregate as a partial replacement for fine natural aggregate by volume. The mix is designed according to
... Show MoreThis article aims to provide a bibliometric analysis of intellectual capital research published in the Scopus database from 1956 to 2020 to trace the development of scientific activities that can pave the way for future studies by shedding light on the gaps in the field. The analysis focuses on 638 intellectual capital-related papers published in the Scopus database over 60 years, drawing upon a bibliometric analysis using VOSviewer. This paper highlights the mainstream of the current research in the intellectual capital field, based on the Scopus database, by presenting a detailed bibliometric analysis of the trend and development of intellectual capital research in the past six decades, including journals, authors, countries, inst
... Show MoreUltimate oil recovery and displacement efficiency at the pore-scale are controlled by the rock wettability thus there is a growing interest in the wetting behaviour of reservoir rocks as production from fractured oil-wet or mixed-wet limestone formations have remained a key challenge. Conventional waterflooding methods are inefficient in such formation due to poor spontaneous imbibition of water into the oil-wet rock capillaries. However, altering the wettability to water-wet could yield recovery of significant amounts of additional oil thus this study investigates the influence of nanoparticles on wettability alteration. The efficiency of various formulated zirconium-oxide (ZrO2) based nanofluids at different nanoparticle concentrations (0
... Show MoreThe use of antibiotics (AB) in surgery focused in either treating established infection or to prevent suspected post-operative infection. Inappropriate use of antibiotic for treatment of patients with common infections is a major problem worldwide, with great implications with regards to cost of treatment and development of resistance to the antimicrobial agent. Moreover, antibiotics may often be dispensed without a clear clinical indication. This study was conducted to estimate the medication errors in using antibiotic for surgery patients which may effect their wound healing. A 260 patients with clean-contaminated and contaminated surgery were included from two teaching hospitals, 160 patient from Medical city hospital and 100 fro
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