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Thiophosgene Detection by Ag-Decorated AlN Nanotube: A Mechanical Quantum Survey

The density functional B3LYP is used to investigate the effect of decorating the silver (Ag) atom on the sensing capability of an AlN nanotube (AlN-NT) in detecting thiophosgene (TP). There is a weak interaction between the pristine AlN-NT and TP with the sensing response (SR) of approximately 9.4. Decoration of the Ag atom into the structure of AlN-NT causes the adsorption energy of TP to decrease from − 6.2 to − 22.5 kcal/mol. Also, the corresponding SR increases significantly to 100.5. Moreover, the recovery time when TP is desorbed from the surface of the Ag-decorated AlN-NT (Ag@AlN-NT) is short, i.e., 24.9 s. The results show that Ag@AlN-NT can selectively detect TP among other gases, such as N2, O2, CO2, CO, and H2O.

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Publication Date
Tue Jun 26 2018
Journal Name
Oriental Journal Of Chemistry
Excess Molar Quantities of Binary Mixture of Dipropyl amine with Aliphatic Alcohols at 298.15 K

Refractive indices (nD), viscosities (η) and densities (r) were deliberated for the binary mixtures created by dipropyl amine with 1-octanol, 1-heptanol, 1-hexanol, 1-pentanol and tert-pentyl alcohol at temperature 298.15 K over the perfect installation extent. The function of Redlich-Kister were used to calculate and renovated of the refractive index deviations (∆nD), viscosity deviations (ηE), excess molar Gibbs free energy (∆G*E) and excess molar volumes(Vm E). The standard errors and coefficients were respected by this function. The values of ∆nD, ηE, Vm E and ∆G*E were plotted against mole fraction of dipropyl amine. In all cases the obtained ηE, ∆G*E, Vm E and ∆nD values were negative at 298.15K. Effect of carbon atoms

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Publication Date
Thu Jan 07 2016
Journal Name
International Journal Of Innovative Research In Science, Engineering And Technology
Effect Of heat Treatment On The Optical Properties Of CuInSe2 Thin Films

CuInSe2 (CIS)thin films have been prepared by use vacuum thermal evaporation technique, of 750 nm thickness, with rate of deposition 1.8±0.1 nm/sec on glass substrate at room temperature and pressure (10-5) mbar. Heat treatment has been carried out in the range (400-600) K for all samples. The optical properties of the CIS thin films are been studied such as (absorption coefficient, refractive index, extinction coefficient, real and imaginary dielectric constant)by determined using Measurement absorption and transmission spectra. Results showed that through the optical constants we can made to control it is wide applications as an optoelectronic devices and photovoltaic applications.

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Publication Date
Mon Dec 03 2018
Journal Name
Journal Of Engineering
Thermal Properties of Lead-Acid Battery Plastic Lightweight Concrete

This study investigates the possibility of using waste plastic as one of the components of expired lead-acid batteries to produce lightweight concrete. Different percentages of lead-acid battery plastic were used in the production of lightweight concrete. The replacements were (70, 80 and 100%) by volume of the fine and coarse aggregate. Results demonstrated that a reduction of approximately 23.6% to 35% in the wet density was observed when replacement of 70% to 100% of the natural aggregate by lead-acid battery plastic. Also, the compressive strength decreased slightly with the increase in plastic content at different curing ages of 7, 28, 60, 90, 120 days. The lowest value of compressive strength was (20.7 MPa) for (wa

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Publication Date
Fri Apr 01 2016
Journal Name
Journal Of Economics And Administrative Sciences
المستخلص تمثل إدارة التغيير التنظيمي، نهج يُتبع لتحويل او انتقال الفرد، او فريق العمل، او المنظمة من حالة راهنة الى حالة مستقبلية مخطط لها. فهي عملية تنظيمية تهدف إلى مساعدة اصحاب المصلحة للقبول ومن ثم تبني التغييرات في بيئة الاعمال الخاصة بهم. ويمكن

     The organizational change management, follows the approach to the transfer or transmission of the individual, or team, or the organization of the current case to the case of a future planned. It is an organizational process aimed at helping stakeholders to accept and then the changes in their business environment. And job satisfaction can be defined as the individual's sense of happiness and satisfaction during the performance of his work and achieved compatibility between what the individual expects from his work and how much it actually gets in this work, and job satisfaction is to pay the individual components of the work and production. Through the concepts above chose researcher on the title search g

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Publication Date
Wed Jan 01 2020
Journal Name
Cogent Engineering
Influence of recycled concrete aggregate treatment methods on performance of sustainable warm mix asphalt

his study aimed to investigate the usability of Recycled Concrete Aggregate (RCA) in warm mix asphalt (WMA) as the implementation of sustainable construction technology. Five replacement rates (0%, 25%, 50%, 75%, and 100%) were tested for the coarse fraction of virgin aggregate (VA) with 3 types of RCA: untreated RCA, HL-treated RCA, and HCL-treated RCA. Scanning electron microscopy (SEM) analyses were performed to investigate the surface morphology for both treated and untreated RCA. The optimum asphalt cement content for every substitution rate was determined using Marshall mix design method. Thereafter, asphalt concrete specimens were prepared using the optimum asphalt cement content, followed by the evaluation of their performance prope

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Publication Date
Sun Jul 09 2023
Journal Name
Journal Of Engineering
Influence of Aging Time on Asphalt Pavement Performance

Aging of asphalt pavements typically occurs through oxidation of the asphalt and evaporation of the lighter maltenes from the binder. The main objective of this study is to evaluate influence of aging on performance of asphalt paving materials.nAsphalt concrete mixtures, were prepared, and subjected to short term aging (STA) procedure which involved heating the loose mixtures in an oven for two aging period of (4 and 8) hours at a temperature of 135 o C. Then it was subject to Long term aging (LTA) procedure using (2 and 5) days aging periods at 85 o C for Marshall compacted specimens. The effect of aging periods on properties of asphalt concrete at optimum asphalt content such as Marshall Properties, indirect tensile strength at 25 o C,

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Publication Date
Sun Dec 30 2012
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Production of Biodiesel Fuel from Oleic Acid and Comparison of its Properties with Petroleum Diesel

Biodiesel define as the mono-alkyl esters of vegetable oil and animal fats is an alternative diesel fuel that is steadily gaining attention because the combustion of fossil fuels such as coal, oil and natural gas has been identify as a major cause of the increase in the concentration of carbon dioxide in the earth’s atmosphere and causing global warming.
The present work concerns with estimating the physical properties experimentally such as kinematic viscosity, density, flash point and carbon residue of biodiesel that produced by the esterification reaction of methanol and oleic acid with homogeneous catalysts H2SO4 in a lab-scale packed reactive distillation column using the best operating conditions of methanol to oleic acid 8:1,

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Publication Date
Thu Nov 08 2018
Journal Name
Chemistry – A European Journal
Magnetic Shielding, Aromaticity, Antiaromaticity and Bonding in the Low‐Lying Electronic States of S <sub>2</sub> N <sub>2</sub>

Aromaticity, antiaromaticity and chemical bonding in the ground (S0), first singlet excited (S1) and lowest triplet (T1) electronic states of disulfur dinitride, S2N2, were investigated by analysing the isotropic magnetic shielding, σiso(r), in the space surrounding the molecule for each electronic state. The σiso(r) values were calculated by state-optimized CASSCF/cc-pVTZ wave functions with 22 electrons in 16 orbitals constructed from gauge-including atomic orbitals (GIAOs). The S1 and T1 electronic states were confirmed as 11Au and 13B3u, respectively, through linear response CC3/aug-cc-pVTZ calculations of the vertical excitation energies for eight singlet (S1–S8) and eight triplet (T1–T8) electronic states. The aromaticities of S

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Publication Date
Tue Feb 01 2022
Journal Name
Baghdad Science Journal
Effect of the Concentration of Copper on the Properties of Copper Sulfide Nanostructure

Nanoparticles of copper sulfide have been prepared by simple reaction between using copper nitrate with different concentrations ratio 0.1, 0.3, and 0.5 mM, thiourea by a simple chemical route. The prepared Nano powders have been deposited onto glass substrates by casting method at 60°C. The structure of the product Nano- films has been studied by x-ray diffraction, where the patterns showed that all the samples have a hexagonal structure of covellite copper sulfide with the average crystalline sizes 14.07- 16.51 nm. The morphology has been examined by atomic force microscopy, and field emission scan electron microscopy. The AFM images showed particles with almost spherical and rod shapes with average diameter sizes of 49.11- 90.64 nm.

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Publication Date
Sun Dec 01 2019
Journal Name
Baghdad Science Journal
Primary Colors Red, Yellow, and Blue Use as Self-Cleaning Paints with Layer of Titanium Dioxide

Transparent nano- coating was prepared by Sol-Gel method from titanium dioxide TiO2 which has the ability to self-cleaning coating used for hospitals, laboratories, and places requiring permanent sterilization. Three primary colors are selected (red, blue, and yellow) as preliminary study to the effect of these colors on the nano-coating. Three traditional oil paints color were used as base, then coated by a layer of TiO2-Sol and deposited on the paints. The optical properties of TiO2-Sol were measured; the maximum absorption wavelength at (λmax=387 nm), the refractive index (n=1.4423) and the energy band gap (Eg=3.2 eV). The structure properties found by X-ray diffraction of TiO

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