A theoretical study on corrosion inhibitors was done by quantum calculations includes semi-empirical PM3 and Density Functional Theory (DFT) methods based on B3LYP/6311++G (2d,2P). Benzimidazole derivative (oxo(4- ((phenylcarbamothioyl) carbamoyl)phenyl) ammonio) oxonium (4NBP) and thiourea derivative 2-((4- bromobenzyl)thio) -1H-benzo[d] imidazole (2SB) were used as corrosion inhibitors and an essential quantum chemical parameters correlated with inhibition efficiency, EHOMO (highest occupied molecular orbital energy) and ELUMO (lowest molecular orbital energy). Other parameters are also studied like energy gap [ΔE (HOMO-LUMO)], electron affinity (EA), hardness (Δ), dipole moment (μ), softness (S), ionization potential (IE), absolute electron negativity (χ), and global electrophilicity index (ω) respectively. Mulliken population was also essential to determine a local reactivity by indicating reactive centers and identifyinga potential nucleophilic and electrophilic attacks sites. The adsorption of compounds is also discussedwith the bonds length, the angles, and tetrahedral of molecules. The 2SB best from 4NBP as corrosion inhibitors according to theoretical and experimental proving.Predicated.
In the present paper, three reliable iterative methods are given and implemented to solve the 1D, 2D and 3D Fisher’s equation. Daftardar-Jafari method (DJM), Temimi-Ansari method (TAM) and Banach contraction method (BCM) are applied to get the exact and numerical solutions for Fisher's equations. The reliable iterative methods are characterized by many advantages, such as being free of derivatives, overcoming the difficulty arising when calculating the Adomian polynomial boundaries to deal with nonlinear terms in the Adomian decomposition method (ADM), does not request to calculate Lagrange multiplier as in the Variational iteration method (VIM) and there is no need to create a homotopy like in the Homotopy perturbation method (H
... Show MoreContemporary architecture has witnessed a new innovative trend in design characterized by the creation of interesting free-flowing structures that reflect expressiveness of form and design, as well as the uniqueness of structure and approaches of construction. These fascinating structures are often perceived as landmarks that blend harmoniously into their surroundings. In the last two decades, parametric design and advanced computational tools, with prefabrication and construction techniques, enabled architects and engineers to explore new materials and methods to create such impressive structures, breaking the obsolete ways of thinking. Several examples of free-form structures lack obviously to explore architectural potentialities,
... Show MoreIn this thesis, we study the topological structure in graph theory and various related results. Chapter one, contains fundamental concept of topology and basic definitions about near open sets and give an account of uncertainty rough sets theories also, we introduce the concepts of graph theory. Chapter two, deals with main concepts concerning topological structures using mixed degree systems in graph theory, which is M-space by using the mixed degree systems. In addition, the m-derived graphs, m-open graphs, m-closed graphs, m-interior operators, m-closure operators and M-subspace are defined and studied. In chapter three we study supra-approximation spaces using mixed degree systems and primary object in this chapter are two topological
... Show MoreCorrosion behavior of aluminum alloy 7025 was investigated in hydrochloric acid (pH=1) containing 0.6 mol.dm-3 NaCl in the existence and absence of diverse concentrations of sulphamethoxazole as environmentally friendly corrosion inhibitor over the temperature range (298-313)K. Electrochemical polarization method using potentiostatic technique was employed. The inhibition efficiency has been raised with increased sulphamethoxazole concentration but lessened at temperature increases. The highest efficiency value was 96.5 at 298 K and 2 x10-4 mol.dm-3 concentration of sulphamethoxazole. The sulphamethoxazole adsorption was agreed with Langmuir adsorption isotherm. Some thermodynamic parameter (△Gads) and activation energy (Ea) were determin
... Show MoreMixture experiments are response variables based on the proportions of component for this mixture. In our research we will compare the scheffʼe model with the kronecker model for the mixture experiments, especially when the experimental area is restricted.
Because of the experience of the mixture of high correlation problem and the problem of multicollinearity between the explanatory variables, which has an effect on the calculation of the Fisher information matrix of the regression model.
to estimate the parameters of the mixture model, we used the (generalized inverse ) And the Stepwise Regression procedure
... Show MoreAn image retrieval system is a computer system for browsing, looking and recovering pictures from a huge database of advanced pictures. The objective of Content-Based Image Retrieval (CBIR) methods is essentially to extract, from large (image) databases, a specified number of images similar in visual and semantic content to a so-called query image. The researchers were developing a new mechanism to retrieval systems which is mainly based on two procedures. The first procedure relies on extract the statistical feature of both original, traditional image by using the histogram and statistical characteristics (mean, standard deviation). The second procedure relies on the T-
... Show MoreThe extraction of Basil oil from Iraqi Ocimum basillicum leaves using n-hexane and petroleum ether as organic solvents were studied and compared. The concentration of oil has been determined in a variety of extraction temperatures and agitation speed. The solvent to solid ratio effect has been studied in order to evaluate the concentration of Ocimum basillicum oil. The optimum experimental conditions for the oil extraction were established as follows: n-hexane as organic solvent, 60 °C extraction temperature, 300 rpm agitation speed and 40:1mL:g amount of solvent to solid ratio.
Monomeric complexes of the ligand H2L, with the general formula [M (HL2)2] with (M (II) = Co, Ni, Cu), have been synthesized and characterized by proton nuclear magnetic resonance (1H‐NMR), Fourier‐transform infrared spectroscopy (FT‐IR), ultraviolet–visible spectroscopy (UV‐Vis), elemental microanalysis, metal content, magnetic moment and molar conductance measurements, molar conductance, and chloride containing. On the basis of experimental evidences, tetrahedral geometry has been proposed for prepared Schiff bases complexes. The geometry of the ligand and its complexes were confirmed by their optimized