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jih-2794
Calculate the Thermal Properties of (S2F2) Using Semi-empirical Quantum Mechanics (MNDO / PM3)
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In this paper, thermal properties were performed by using semi-empirical theoretical calculations to study the molecular structure of a nonlinear molecular system, the (S2F2) molecule in the infrared region, by using semi-empirical quantum programs in the (MNDO / PM3) method. This study is under the condition of obtaining the stable structure of the molecule in which the molecule obtains the minimum value of the total energy. The thermodynamic properties were also calculated, including the heat of formation, whose value was (-61.002kcal / mol),  the entropy and its value (78.2916 cal / mol.k), as well as the heat capacity  (15.9454 cal / mol.k) and the enthalpy (3763.434 cal /mol),  Gibbs Free Energy, it was valued at (-19567.5 cal / mol), these values ​​were taken at the standard temperature 298 k, withdrawing these relationships in graphs and showing the changes in the state That the molecule passes through, and comparing these values with the experimental results.

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Publication Date
Sat Apr 30 2022
Journal Name
Iraqi Journal Of Science
Impact of PEDOT:PSS Concentration and Heat Treated on Compositional and Some Optical Properties for Graphene Oxide Thin Films
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     In this study the as-deposited and heat treated at 423K of conductive blende graphene oxide (GO) / poly(3,4-ethylenedioxythiophene)-poly(styrenesulfonate) (PEDOT:PSS) thin films was prepared with different PEDOT:PSS concentration (0, 0.25, 0.5, 0.75 and 1.0)wt% on pre-cleaned glass substrate by spin coating technique. The energy dispersive X-ray Analysis (EDX) show the existence of higher amount of carbon and oxygen related to hydroxyl and carbonyl  groups. X-ray diffraction (XRD) analysis of the as-deposited and annealed GO/PEDOT:PSS thin films blend indicated that the film prepared  show broad peak around 8.24 corresponding to the (001) level refers to GO, this peak shifted to the lower 2θ with increasing PEDOT:PSS concentr

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Publication Date
Fri Jul 01 2016
Journal Name
Colloids And Surfaces A: Physicochemical And Engineering Aspects
Stability and thermophysical properties of water-based nanofluids containing triethanolamine-treated graphene nanoplatelets with different specific surface areas
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tA novel synthesis procedure is presented for preparing triethanolamine-treated graphene nanoplatelets(TEA-GNPs) with different specific areas (SSAs). Using ultrasonication, the covalently functionalizedTEA-GNPs with different weight concentrations and SSAs were dispersed in distilled water to prepareTEA-GNPs nanofluids. A simple direct coupling of GNPs with TEA molecules is implemented to synthesizestable water-based nanofluids. The effectiveness of the functionalization procedure was validated by thecharacterization and morphology tests, i.e., FTIR, Raman spectroscopy, EDS, and TEM. Thermal conduc-tivity, dispersion stability, and rheological properties were investigated. Using UV–vis spectrometer, ahighest dispersion stability of 0.876

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Publication Date
Thu May 28 2020
Journal Name
Iraqi Journal Of Science
Theoretical Investigation on Reaction Pathway, Biological Activity, Toxicity and NLO Properties of Diclofenac Drug and Its Ionic Carriers
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The present study included the use of the approximate semi-experimental method, the time-independent density function theory (unrestricted), the time-dependent density function theory, and Hartree-Fock method to calculate the reaction pathway of the anti-inflammatory drug diclofenac with its common ionic carriers (sodium and potassium). The basis sets used were STO-3G, 3-21G, 6-31G, and 6-311G. The drug was studied with two new proposed carrier ions (lithium and calcium) which were compared with common carriers. The calculations included the optimized geometrical structure and some physical properties such as standard heat of formation, dipole moment, total energies, and analytical spectra of IR, UV-VIS and 1H NMR. The biologi

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Publication Date
Fri Mar 01 2019
Journal Name
Al-khwarizmi Engineering Journal
Effect of Grain and Calcinations Kaolin Additives on Some Mechanical and Physical properties on Low Density Polyethylene Composites
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In this work, a composite material was prepared from Low-density polyethylene (LDPE) with different weight percent of grain and calcinations kaolin at temperature of (850oC) using single screw extruder and a mixing machine operated at a temperature between (190-200oC). Some of mechanical and physical properties such as tensile strength, tensile strength at break, Young modulus, and elongation at break, shore hardness and water absorption were determined at different weight fraction of filler (0, 2, 7, 10 and 15%). It was found that the addition of filler increases the modulus of elasticity, elongation at break, shore hardness and impact strength; on other hand, it decreases the tensile strength and tensile strength

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Publication Date
Thu Dec 31 2020
Journal Name
Iraqi Journal Of Market Research And Consumer Protection
SYNTHESIS OF THE NEW NAPROXEN SELECTIVE ELECTRODE BASED ON IMPRINTED POLYMER USING DIFFERENT MONOMERS AND ITS DETERMINATION AT PHARMACEUTICAL PREPARATION: SYNTHESIS OF THE NEW NAPROXEN SELECTIVE ELECTRODE BASED ON IMPRINTED POLYMER USING DIFFERENT MONOMERS AND ITS DETERMINATION AT PHARMACEUTICAL PREPARATION
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ABSTRACT

Naproxen(NPX) imprinted liquid electrodes of polymers are built using polymerization precipitation. The molecularly imprinted (MIP) and non imprinted (NIP) polymers were synthesized using NPX as a template. In the polymerization precipitation involved, styrene(STY) was used as monomer, N,N-methylenediacrylamide (N,N-MDAM) as a cross-linker and benzoyl peroxide (BPO) as an initiator. The molecularly imprinted membranes and the non-imprinted membranes were prepared using acetophenone(AOPH) and di octylphathalate(DOP)as plasticizers in PVC matrix. The slopes and detection limits of the liquid electrodes ranged from)-18.1,-17.72 (mV/decade and )4.0 x 10-

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Publication Date
Sun Oct 30 2022
Journal Name
Iraqi Journal Of Science
The Best Efficient Solutions for Multi-Criteria Travelling Salesman Problem Using Local Search Methods
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     In this research, we propose to use two local search methods (LSM's); Particle Swarm Optimization (PSO) and the Bees Algorithm (BA) to solve Multi-Criteria Travelling Salesman Problem (MCTSP) to obtain the best efficient solutions. The generating process of the population of the proposed LSM's may be randomly obtained or by adding some initial solutions obtained from some efficient heuristic methods. The obtained solutions of the PSO and BA are compared with the solutions of the exact methods (complete enumeration and branch and bound methods) and some heuristic methods. The results proved the efficiency of PSO and BA methods for a large number of nodes ( ). The proposed LSM's give the best efficient solutions for the MCTSP for

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Publication Date
Sun Jun 01 2014
Journal Name
Baghdad Science Journal
Spectrophotometric Analytical method for Determination the Drug Compound Salbutamol by using Prussian blue Complex
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This research aims to develop new spectrophotometric analytical method to determine drug compound Salbutamol by reaction it with ferric chloride in presence potassium ferricyanide in acid median to formation of Prussian blue complex to determine it by uv-vis spectrophotmetric at wavelengths rang(700-750)nm . Study the optimal experimental condition for determination drug and found the follows: 1- Volume of(10M) H2SO4 to determine of drug is 1.5 ml . 2- Volume and concentration of K3Fe(CN)6 is 1.5 ml ,0.2% . 3- Volume and concentration of FeCl3 is 2.5ml , 0.2%. 4- Temperature has been found 80 . 5- Reaction time is 15 minute . 6- Order of addition is (drug + K3Fe(CN)6+ FeCl3 + acid) . Concentration rang (0.025-5 ppm) , limit detecti

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Publication Date
Sun Aug 01 2021
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Robust Tests for the Mean Difference in Paired Data by Using Bootstrap Resampling Technique
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The paired sample t-test for testing the difference between two means in paired data is not robust against the violation of the normality assumption. In this paper, some alternative robust tests have been suggested by using the bootstrap method in addition to combining the bootstrap method with the W.M test. Monte Carlo simulation experiments were employed to study the performance of the test statistics of each of these three tests depending on type one error rates and the power rates of the test statistics. The three tests have been applied on different sample sizes generated from three distributions represented by Bivariate normal distribution, Bivariate contaminated normal distribution, and the Bivariate Exponential distribution.

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Publication Date
Wed Feb 08 2023
Journal Name
Iraqi Journal Of Science
Text Hiding in Color Images Using the Secret Key Transformation Function in GF (2n)
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Steganography is one of the most popular techniques for data hiding in the different media such as images, audio or video files. This paper introduced the improved technique to hide the secret message using the LSB algorithm inside the RGB true color image by encrypting it using the secret key transformation function. The key is selecting randomly in the GF (2n) with condition it has an inverse value to retrieve the encrypted message. Only two bits are used for the low byte in each pixel (the blue byte) to hide the secret message, since the blue color has a weak effect on human eyes. The message hidden by the suggested algorithm is less vulnerable to be stolen than other similar applications.

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Publication Date
Sat Dec 01 2012
Journal Name
Journal Of Economics And Administrative Sciences
Eatimation Availability Function Through Determination The Optimal Imperfect Preventive Maintenance Period By using Simulation
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This paper deals with the modeling of a preventive maintenance strategy applied to a single-unit system subject to random failures.

According to this policy, the system is subjected to imperfect periodic preventive maintenance restoring it to ‘as good as new’ with probability

p and leaving it at state ‘as bad as old’ with probability q. Imperfect repairs are performed following failures occurring between consecutive

preventive maintenance actions, i.e the times between failures follow a decreasing quasi-renewal process with parameter a. Considering the

average durations of the preventive and corrective maintenance actions a

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