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 .
This paper deals with a method called Statistical Energy Analysis that can be applied to the mechanical and acoustical systems like buildings, bridges and aircrafts …etc. S.E.A as a tool can be applied to the resonant systems in the circumstances of high frequency or/and complex structure». The parameters of S.E.A such as coupling loss factor, internal loss factor, modal density and input power are clarified in this work ; coupled plate sub-systems and explanations are presented for these parameters. The developed system is assumed to be resonant, conservative, linear and there is an equipartition of energy between all the resonant modes within a given frequency band in a given sub-system. The aim of th
... Show MoreBased on the results of standard penetration tests (SPTs) conducted in Al-Basrah governorate, this research aims to present thematic maps and equations for estimating the bearing capacity of driven piles having several lengths. The work includes drilling 135 boreholes to a depth of 10 m below the existing ground level and three standard penetration tests (SPT) at depths of 1.5, 6, and 9.5 m were conducted in each borehole. MATLAB software and corrected SPT values were used to determine the bearing capacity of driven piles in Al-Basrah. Several-order interpolation polynomials are suggested to estimate the bearing capacity of driven piles, but the first-order polynomial is considered the most straightforward. Furthermore, the root means squar
... Show MoreOver the last few decades the mean field approach using selfconsistent
Haretree-Fock (HF) calculations with Skyrme effective
interactions have been found very satisfactory in reproducing
nuclear properties for both stable and unstable nuclei. They are
based on effective energy-density functional, often formulated in
terms of effective density-dependent nucleon–nucleon interactions.
In the present research, the SkM, SkM*, SI, SIII, SIV, T3, SLy4,
Skxs15, Skxs20 and Skxs25 Skyrme parameterizations have been
used within HF method to investigate some static and dynamic
nuclear ground state proprieties of 84-108Mo isotopes. In particular,
the binding energy, proton, neutron, mass and charge densities
Nano gamma alumina was prepared by double hydrolysis process using aluminum nitrate nano hydrate and sodium aluminate as an aluminum source, hydroxyle poly acid and CTAB (cetyltrimethylammonium bromide) as templates. Different crystallization temperatures (120, 140, 160, and 180) 0C and calcinations temperatures (500, 550, 600, and 650) 0C were applied. All the batches were prepared at PH equals to 9. XRD diffraction technique and infrared Fourier transform spectroscopy were used to investigate the phase formation and the optical properties of the nano gamma alumina. N2 adsorption-desorption (BET) was used to measure the surface area and pore volume of the prepared nano alumina, the particle size and the morphology of the surface of
... Show MoreGiven the increasing global use of antibiotics, it has become necessary to examine and recognize their significance. An antibiotic formulation may contain one or more active components, depending on the antibiotic’s type and formulation. Antibiotics act exclusively against bacterial diseases and are ineffective against viral infections such as the common cold and influenza. The purpose of this review is to analyze the existing literature on the determination of antibiotics and to present the methods used for estimating specific antibiotics, including cephalexin, cloxacillin, piperacillin, nafcillin, and cefamandole, in medicinal preparations and biological fluids, such as blood and urine, from humans and animals. Verifying the quality of
... Show MoreOne of the most recent research areas in subsurface applications, including well drilling, is the use of eco-friendly and sustainably synthesized nanoparticles to improve drilling fluid efficiency. Typically, Shale formations present significant challenges to traditional drilling fluids, including fluid infiltration and shale swelling, which jeopardize wellbore stability. Although water-based drilling fluids (WBM) are environmentally preferred, their performance often requires enhancement through advanced additives. This study thus examines the synthesis of silica (SiO₂) and alumina (Al₂O₃) nanoparticles (NPs) using sustainable methods, employing Iraqi bentonite for silica and recycled aluminum scrap for alumina, to improve WBM effici
... Show MoreInternational companies are striving to reduce their costs and increase their profits, and these trends have produced many methods and techniques to achieve these goals. these methods is heuristic and the other Optimization.. The research includes an attempt to adapt some of these techniques in the Iraqi companies, and these techniques are to determine the optimal lot size using the algorithms Wagner-Whitin under the theory of constraints. The research adopted the case study methodology to objectively identify the problem of research, namely determining lot size optimal for each of the products of electronic measurement laboratory in Diyala and in light of the bottlenecks in w
... Show MoreThe use of Conservatism significant impacts on the financial statements and thus on financial reporting which is produced by these lists so Rate Some of the professionals that the principle of accounting while Rate of others as a constraint, and brought this category based on the uses of this restriction sometimes used the accountant this restriction and especially with the uncertainties in the Sometimes it may collide with some of the cases in which the accountant may be forced to leave in custody as a result of emergence of economic events that gave rise to rights or future commitments should be disclosed.
The emergence in custody mainly was due to the uncertainty and its essence is to report on a
... Show More