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HOMO-LUMO Energies and Geometrical Structures Effecton Corrosion Inhibition for Organic Compounds Predict by DFT and PM3 Methods
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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.

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Publication Date
Thu Aug 05 2021
Journal Name
International Journal Of Renewable Energy Development
Desalination of Agricultural Wastewater by Solar Adsorption System: A Numerical Study
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There are still areas around the world suffer from severe shortage of freshwater supplies. Desalination technologies are not widely used due to their high energy usage, cost, and environmental damaging effects. In this study, a mathematical model of single-bed adsorption desalination system using silica gel-water as working pair is developed and validated via earlier experiments. A very good match between the model predictions and the experimental results is recorded. The objective is to reveal the factors affecting the productivity of fresh water and cooling effect in the solar adsorption system. The proposed model is setup for solving within the commercially-available software (Engineering Equation Solver). It is implemented to so

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Publication Date
Tue Oct 01 2024
Journal Name
Journal Of Ecological Engineering
Treatment of Petroleum Refinery Wastewater by Activated Carbon Assisted Electrocoagulation Process
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Publication Date
Sun Nov 01 2020
Journal Name
Iop Conference Series: Materials Science And Engineering
Emissions Investigating of Carbon Dioxide Generated by the Iraqi Cement Industry
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Abstract<p>The most used material in the world after water is concrete, which depends mainly on its manufacture of cement leading to the emission of carbon dioxide (CO<sub>2</sub>), flying dust, and other greenhouse gasses (GHGs) resulting in pollution of the atmosphere. The emission of CO<sub>2</sub> from cement production is approximately 5% of the global anthropogenic CO<sub>2</sub>. This research focuses on investigating the amount of CO<sub>2</sub> emission from the Iraqi General Cement Company plants includes the cement factories of Kirkuk, Al-Qa’em, Fallujah, and Kubaisa, using the GHGs Protocol Measures Program (specifically cement based-method).</p> ... Show More
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Publication Date
Sat Jan 01 2022
Journal Name
Journal Of Applied Engineering Science
Rutting prediction of hot mix asphalt mixtures reinforced by ceramic fibers
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One of the most severe problems with flexible asphalt pavements is permanent deformation in the form of rutting. Accordingly, the practice of adding fiber elements to asphalt mix to improve performance under dynamic loading has grown significantly in order to prevent rutting distress and ensure a safe and long-lasting road surface. This paper explores the effects of a combination of ceramic fiber (CF), a low-cost, easily available mineral fiber, and thermal insulator fiber reinforced to enhance the Marshall properties and increase the rutting resistance of asphalt mixes at high temperatures. Asphalt mixtures with 0%, 0.75%, 1.5%, and 2.25% CF content were prepared, and Marshall stability and wheel tracking tests were employed to stu

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Publication Date
Thu Jan 30 2020
Journal Name
Journal Of Engineering
Removal of Reactive Dyes by Electro Coagulation Process from Aqueous Solution
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The presence of dyes in wastewater has become a major issue all over the world. The discharge of dyes in the environment is concerned for both toxicological and esthetical reasons. In this study, the removal of dyes from aqueous solution by electrocoagulation using aluminum electrodes as cathode and anode were investigated with the electrocoagulation cell of 1litter. The study included: the impact of various operating parameters on the dyes removal efficiency like pH, NaCl concentration, distance between electrodes, voltage, initial dyes concentration and type of electrodes. The dye (congo red) concentrations were (50, 100, 150, and 200 ppm), stirring speed was 120 rpm at room temperature. pH used was maintained constant

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Publication Date
Tue Mar 01 2016
Journal Name
Journal Of Engineering
Energy Dissipation on the Ogee Spillways by Using Direction Diverting Blocks
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The purpose of this study is to evaluate the hydraulic performance and efficiency of using direction diverting blocks, DDBs, fixed on the surface on an Ogee spillway in reducing the acceleration and dissipating the energy of the incoming supercritical flow. Fifteen types of DDB models were made from wood with a triangulate shape and different sizes were used. Investigation tests on pressure distribution at the DDBs boundaries were curried out to insure there is no negative pressures is developed that cause cavitation. In these tests, thirty six test runs were accomplished by using six types of blocks with the same size but differ in apex angle. Results of these test showed no negative pressures developed at the boundarie

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Publication Date
Mon May 01 2023
Journal Name
Journal Of Engineering
Producing Sustainable Roller Compacted Concrete by Using Fine Recycled Concrete Aggregate
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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

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Publication Date
Tue Mar 30 2010
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Removal of dyes from polluted water by adsorption on maize cob
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This research aimed to examine the effect of concentration of dyes stuff, contact time, temperature and ratio of adsorbent weight in (gm) to volume of solution in (ml) on the percentage removal. Two dyes were used; direct blue 6 and direct yellow and the adsorbent was the maize cob. Batch experiments were performed by contacting different weights of adsorbent with 50 ml of solution of desired concentration with continuous stirring at various temperatures. The percentage of removal was calculated and the maximum percentage of removal was 80%. And as the concentration of solution, contact time, temperature and the ratio of adsorbent to volume of solution increase the percentage of removal increase.

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Publication Date
Sat Aug 01 2015
Journal Name
Journal Of Engineering
Reducing of Manufacturing Lead Time by Implementation of Lean Manufacturing Principles
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Many organizations today are  interesting to implementing lean manufacturing principles  that should enable them to eliminating the wastes to reducing a  manufacturing lead time.  This paper concentrates on  increasing  the competitive level of the company in globalization markets and improving of the productivity by reducing the manufacturing lead time. This will be by using the main tool of lean manufacturing which is value stream mapping (VSM) to identifying all the activities of manufacturing process (value and non-value added activities) to reducing elimination of wastes (non-value added activities) by converting a manufacturing system to pull instead of push by applying some of pull system strategies a

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Publication Date
Sun Mar 30 2008
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Experimental Studies on the Benification of Fine Solids by Forth Flotation
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In this paper, the experiments were carried out in laboratory flotation cell treating solid fines. The effect of variables such as collector oil dosage, pine oil dosage and solid content of the feed slurry have been investigated on the flotation characteristics of low rank coal. Attempts have also been made to develop some empirical Eq. to predict the yield and ash content of concentrate with the operating variables, solids concentration, collector oil dosage, and pine oil dosage, to estimate the recovery at any operating conditions. The calculated results obtained from regression equation by correlating the variables with the yield and ash content of concentrate have been compared to study whether calculated values match closely with th

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