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Study of the Interaction Between Reduced Graphene Oxide and NO<sub>2</sub>Gas Molecules via Density Functional Theory (DFT)
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Electronic properties such as density of state, energy gap, HOMO (the highest occupied molecular orbital) level, LUMO (the lowest unoccupied molecular orbital) level and density of bonds, as well as spectroscopic properties like infrared (IR), Raman scattering, force constant, and reduced masses for coronene C24, reduced graphene oxide (rGO) C24O5and interaction between C24O5and NO2gas molecules were investigated. Density functional theory (DFT) with the exchange hybrid function B3LYP with 6-311G** basis sets through the Gaussian 09 W software program was used to do these calculations. Gaussian view 05 was employed as a supplementary software to investigate the geometrical structure of C24, C24O5and the interaction of C24O5with NO2gas molecule. It shows the energy gap of coronene C243.5 eV because the effect of quantum confinement and the Coulomb interaction geometry greatly influence the quasi-particle band gap and C24Oxwhere x = 1–7 was from 0.89 eV to 1.6862 eV a function of number of oxygen atoms and compared with the experiment value of graphene oxide which was between 1 eV and 2.2 eV. The spectroscopic properties were compared with the experiment value of graphene, graphene oxide and NO2longitudinal optical (LO) modes of 1 585, 1 582 and 1 600 cm−1, respectively. The transition state of the interaction of rGO with nitrogen dioxide and Gibbs energy, enthalpy, activation entropy and reaction at various temperatures between 25°C and 100°C were calculated. The activation energy of C24O5with nitrogen dioxide decreases with increasing temperature.

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Publication Date
Sat Oct 30 2021
Journal Name
Iraqi Journal Of Science
Density - Velocity Relationship and Prediction of Lithology Variation Using Physical Analysis in Kf-4 Well of The Kifl Oil Field, Yamama Formation, South of Iraq
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     The density-velocity relation is an important tool used to predict one of  these two parameters from the other. A new empirical density –velocity equation was derived in Kf-4 well at Kifl Oil Field, south of Iraq. The density was derived from Gardner equation and the results obtained were compared with the density log (ROHB) in Kl-4 well. The petrophysical analysis was used to predict the variations in lithology of Yamama Formation depending on the well logs data, such as density, gamma, and neutron logs. The physical analysis of rocks depended on the density, Vp, and Vs  values to estimate the elastic parameters, i.e. acoustic impedance (AI) and Vp/Vs ratio, to predict the lithology and hydrocarbon i

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Publication Date
Mon Sep 30 2024
Journal Name
Malaysian Journal Of Science
INVESTIGATION OF WETTABILITY, ANTIBACTERIAL ACTIVITY, THERMAL INSULATION, AND MECHANICAL CHARACTERISTICS OF ELASTOMER BLEND ADHESIVES WITH HIGH-DENSITY FIBERBOARD WOOD AND ALUMINUM
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Attention has recently been given to finding alternative and sustainable raw material sources for wood and metal adhesives, such as polyvinyl alcohol (PVA), corn starch (CS), arabic gum (AG), and dextrins (D). Modifying polymer dispersion using unique substances, such as modifying reactive elastomer liquid (EL) using PVA, CS, AG, or D results in sufficiently moisture-resistant adhesive joins. In the present study, the physical characteristics of EL/blended with the natural polymers PVA, CS, AG, and D, based on high-density fiberboard (HDF) wood and aluminum (Al) adhesives and coatings, were investigated and compared to those of pure EL. The EL was blended with PVA, CS, AG, or D at a ratio of 60/40 (w/w) to form EL/blends. The che

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Publication Date
Fri Mar 31 2017
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Preparations of Organoclay Using Cationic Surfactant and Characterization of PVC/ (Bentonite and Organoclay) Composite Prepared via Melt Blending Method
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Calcium-Montmorillonite (bentonite) [Ca-MMT] has been prepared via cation exchange reaction using benzalkonium chloride [quaternary ammonium] as a surfactant to produce organoclay which is used to prepare polymer composites. Functionalization of this filler surface is very important factor for achieving good interaction between filler and polymer matrix. Basal spacing and functional groups identification of this organoclay were characterized using X-Ray Diffraction (XRD) and Fourier Transform Infrared (FTIR) spectroscopy respectively.  The (XRD) results showed that the basal spacing of the treated clay (organoclay) with the benzalkonium chloride increased to 15.17213 0A, this represents an increment of about 77.9% in the

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Publication Date
Wed Feb 15 2017
Journal Name
Global Journal Of Bio-science And Biotechnology
ISOLATE AND IDENTIFICATION OF PSEUDOMONAS AERUGINOSA FROM CONTAMINATED SOIL WITH HYDROCARBONS DISCHARGED FROM GAS FILLING REFINERIES
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Petroleum is one of the most important substances consumed by man at present times, a major energy source in this century, petroleum oils can cause environmental pollution during various stages of production, transportation, refining and use, petroleum hydrocarbons pollutions ranging from soil, ground water to marine environment, become an inevitable problem in the modern life, current study focused on bioremediation process of hydrocarbons contaminants that remaining in the bottom of gas cylinders and discharged to the soil. Twenty-four bacterial isolates were isolated from contaminated soils all of them gram negative bacteria, bacterial isolates screening to investigate the ability of biodegradation of hydrocarbons, these isolates inocula

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Publication Date
Tue Jan 01 2019
Journal Name
Energy Procedia
Design and Construction of Nanostructure TiO2 Thin Film Gas Sensor Prepared by R.F Magnetron Sputtering Technique
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In this research, Mn-doped TiO2 thin films were grown on glass, Si and OIT/glass substrates by R.F magnetron sputtering technique with thicknesses (250 nm) using TiO2:Mn target under Ar gas pressure and power of 100 Watt. Through the results of X-ray diffraction, the prepared thin films are of the polycrystallization type after the process of annealing at 600°C for two hour The average crystalline size were 145.32, 280.97 and 261.23 nm for (TiO2:Mn) thin film on glass, Si and OIT/glass substrates respectively, while the measured surface roughness is between 0.981nm and 1.14 nm. The fabricated (TiO2:Mn) thin film on glass sensors have high sensitivity for hydrogen( H2 reducing gas) compared to the sensitivity for hydrogen gas on Si and OIT/

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Publication Date
Mon Dec 18 2017
Journal Name
Al-khwarizmi Engineering Journal
Fabrication and Characterization of Tri Metal Oxides by Chemical Spray Pyrolysis Technique as a Gas Sensor
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In this research tri metal oxides were fabricated by simple chemical spray pyrolysis technique from (Sn(NO3)2.20 H2O, Zn(NO3)2.6 H2O, Cd(NO3)2.4 H2O) salts at concentration 0.1M with mixing weight ratio 50:50 were fabricated on silicon substrate n-type (111). (with & without the presence of grooves by the following diemensions (20μm width, 7.5μm depth) with thickness was about ( 0.1 ±0.05 µm) using water soluble as precursors at a substrate temperature 550 ºC±5, with spray distance (15 cm) and their gas sensing properties toward H2S gas at different concentrations (10,50,100,500 ppmv) in air were investigated at room te

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Publication Date
Tue Jan 30 2018
Journal Name
Iraqi Journal Of Science
Inversion to density and velocity model by integrated with wells data at regional area (central and southwestern Iraq)
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A new derivative applied to the old gravity Bouguer map (served in 1940s and 1950s), taking regional study area covered the mid and south of Iraq. The gravity anomaly reflects a density contrast variation; therefore it is possible to use gravity inversion to the density and velocity model through layers (615m, 1100m, 1910m, 2750m and 5290m), the depth layers according to the power spectrum analysis of gravity Bouguer. The inversion is according to the integration of gravity anomalies of the each depth layer with the same depth of wells data, considered to the estimations and analysis of density and velocity scatters of the oil wells distribution with depth at the regional area. Taking the relation

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Publication Date
Fri Sep 30 2022
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Risk-Based Inspection Due to Corrosion Consequences for Oil and Gas Flowline: A Review
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   The petroleum industry, which is one of the pillars of the national economy, has the potential to generate vast wealth and employment possibilities. The transportation of petroleum products is complicated and changeable because of the hazards caused by the corrosion consequences. Hazardous chemical leaks caused by natural disasters may harm the environment, resulting in significant economic losses. It significantly threatens the aim for sustainable development. When a result, determining the likelihood of leakage and the potential for environmental harm, it becomes a top priority for decision-makers as they develop maintenance plans. This study aims to provide an in-depth understanding of the risks associated with oil and gas pipeli

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Publication Date
Thu Dec 29 2016
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Evaluation of Erythrocyte Malondialdehyde, Glutathione Concentration and Serum Nitric Oxide Levels in Patients with Toxoplasma gondii
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   The aim of this study was to evaluate the biological importance of the magnitude of oxidative stress, antioxidant and the levels of nitric oxide (NO) in the female patients infected with Toxoplasma gondii by analyzing the levels of erythrocyte malondialdehyde (MDA) as an indicator for the oxidative stress and erythrocyte reduced glutathione (GSH) level as indicator for the antioxidant status and serum nitric oxide levels. This prospective study was conducted on fifty female patients with toxoplasmosis and thirty normal healthy females of comparable age and sex were considered as normal control. A statistically significant difference was found between patients and control group in terms of MDA, GSH and NO levels. A decrease i

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Publication Date
Wed Jun 27 2018
Journal Name
Iraqi Journal Of Science
Effect of Nano-Zirconium Oxide and Other Applications on Cowpea Seedlings Growth Under T Salt Stress
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This study was carried out in the botanical garden / department of biology /college of science in Mustansiriyah University, Baghdad. During spring 2017 under controlled environmental conditions in greenhouse to study the role of Nano ZrO2 activity in decrease negative effect of salinity under two levels from NaCl . The treatments included (Salinity levels : natural soil , 3000 ppm and 6000 ppm NaCl) and ( Applications : control , 100 , 300 Zirconium oxide , 5 ppm of liquorice root extract and 10 ppm liquorice root extract   and 300 ppm GA3) , The collected data were analyzed statistically using factorial completely randomized design.   The results appeared  that 300 ppm nano zirconium gave the highest

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