In this work semi–empirical method (PM3) calculations are carried out by (MOPAC) computational packages have been employed to calculate the molecular orbital's energies for some organic pollutants. The long– chain quaternary ammonium cations called Iraqi Clays (Bentonite – modified) are used to remove these organic pollutants from water, by adding a small cationic surfactant so as to result in floes which are agglomerates of organobentonite to remove organic pollutants. This calculation which suggests the best surface active material, can be used to modify the adsorption efficiency of aniline , phenol, phenol deriviatives, Tri methyl glycine, ester and pecticides , on Iraqi Clay (bentonite) by comparing the theoretical results with experimental results achived in previous experimental studies between some organic pollutants and modified bentonite by (1- Hexadecyl pyridinium bromide) (HDPYBr). The theoretical calculation is made by using three surface active materials [1- (Hexadecyl pyridinium bromide) (HDPYBr), (1,12- Dipyridiniododecane dibromide) (DPYDDBr2) and Hexadecyl trimethyl ammonium bromide (HDTMA)]. Using (HDTMA) leads to the best adsorption efficiency for most pollutants involved in this study. The enthalpy of formations, dipole and energy of molecular orbitale HOMO and LUMO energies levels are calculated for all pollutants and the three surface active materials.
Graphene-carbon nitride can be synthesized from thiourea in a single step at a temperature of four hours at a rate of 2.3 ℃/min. Graphene-carbon nitride was characterized by Fourier-transform infrared spectroscopy (FTIR), energy dispersive X-ray analysis (EDX), scanning electron microscopy, and spectrophotometry (UV-VIS). Graphene-carbon nitride was found to consist of triazine and heptazine structures, carbon, and nitrogen. The weight percentage of carbon and the atomic percentage of carbon are 40.08%, and the weight percentage of nitrogen and the atomic percentage of nitrogen are 40.08%. Therefore, the ratio and the dimensions of the graphene-carbon nitride were characterized by scanning electron microscopy, and it was found that the
... Show MoreThis paper is concerned with introducing an explicit expression for orthogonal Boubaker polynomial functions with some important properties. Taking advantage of the interesting properties of Boubaker polynomials, the definition of Boubaker wavelets on interval [0,1) is achieved. These basic functions are orthonormal and have compact support. Wavelets have many advantages and applications in the theoretical and applied fields, and they are applied with the orthogonal polynomials to propose a new method for treating several problems in sciences, and engineering that is wavelet method, which is computationally more attractive in the various fields. A novel property of Boubaker wavelet function derivative in terms of Boubaker wavelet themsel
... Show MoreStrong and ∆-convergence for a two-step iteration process utilizing asymptotically nonexpansive and total asymptotically nonexpansive noneslf mappings in the CAT(0) spaces have been studied. As well, several strong convergence theorems under semi-compact and condition (M) have been proved. Our results improve and extend numerous familiar results from the existing literature.
Background: Ischemic VSD or ventricular septal rupture (VSR) is a rare but lethal complication of myocardial infarction (MI). Multi-system coronary disease is present in more than 50% of these patients. The event occurs 2-8 days after an infarction and often precipitates cardiogenic shock. The differential diagnosis of postinfarction cardiogenic shock should exclude free ventricular wall rupture and rupture of the papillary muscles. To avoid the high morbidity and mortality associated with the disorder, patients should undergo emergent surgery. Concomitant coronary artery bypass may be required.
Objective: This study stressed on a very serious complication of a common pathology (myocardial infarction), despite it,s lethal complication
Background: Chronic obstructive pulmonary disease causes permanent morbidity, premature mortality and great burden to the healthcare system. Smoking is it's most common risk factor and Spirometry is for diagnosing COPD and monitoring its progression.
Objectives: Early detection of chronic obstructive pulmonary disease in symptomatic smokers’ ≥ 40years by spirometry.
Methods: A cross sectional study on all symptomatic smokers aged ≥ 40 years attending ten PHCCs in Baghdad Alkarkh and Alrisafa. Those whose FEV1/FVC was <70% on spirometry; after giving bronchodilator, were considered COPD +ve.
Results: Overall, airway obstruction was seen in
... Show MoreIn this paper, we consider a new approach to solve type of partial differential equation by using coupled Laplace transformation with decomposition method to find the exact solution for non–linear non–homogenous equation with initial conditions. The reliability for suggested approach illustrated by solving model equations such as second order linear and nonlinear Klein–Gordon equation. The application results show the efficiency and ability for suggested approach.
Two-dimensional unsteady mixed convection in a porous cavity with heated bottom wall is numerically studied in the present paper. The forced flow conditions are imposed by providing a hydrostatic pressure head at the inlet port that is located at the bottom of one of the vertical side walls and an open vent at the top of the other vertical side wall. The Darcy model is adopted to model the fluid flow in the porous medium and the combination effects of hydrostatic pressure head and the heat flux quantity parameters are carefully investigated. These governing parameters are varied over wide ranges and their effect on the heat transfer characteristics is studied in detail. It is found that the time required to reach a desired temperature at th
... Show MoreAn Alternating Directions Implicit method is presented to solve the homogeneous heat diffusion equation when the governing equation is a bi-harmonic equation (X) based on Alternative Direction Implicit (ADI). Numerical results are compared with other results obtained by other numerical (explicit and implicit) methods. We apply these methods it two examples (X): the first one, we apply explicit when the temperature .
This paper provides a four-stage Trigonometrically Fitted Improved Runge-Kutta (TFIRK4) method of four orders to solve oscillatory problems, which contains an oscillatory character in the solutions. Compared to the traditional Runge-Kutta method, the Improved Runge-Kutta (IRK) method is a natural two-step method requiring fewer steps. The suggested method extends the fourth-order Improved Runge-Kutta (IRK4) method with trigonometric calculations. This approach is intended to integrate problems with particular initial value problems (IVPs) using the set functions and for trigonometrically fitted. To improve the method's accuracy, the problem primary frequency is used. The novel method is more accurate than the conventional Runge-Ku
... Show MoreIn this paper, the series solution is applied to solve third order fuzzy differential equations with a fuzzy initial value. The proposed method applies Taylor expansion in solving the system and the approximate solution of the problem which is calculated in the form of a rapid convergent series; some definitions and theorems are reviewed as a basis in solving fuzzy differential equations. An example is applied to illustrate the proposed technical accuracy. Also, a comparison between the obtained results is made, in addition to the application of the crisp solution, when theï€ ï¡-level equals one.