The impact of decorating Fe, Ru, Rh, and Ir metals upon the sensing capability of a gallium nitride nanotube (GaNNT) in detecting chlorine trifluoride (CT) was scrutinized using the density functionals B3LYP and B97D. The interaction of the pristine GaNNT with CT was a physical adsorption with the sensing response (SR) of approximately 6.9. After decorating the above-mentioned metals on the GaNNT, adsorption energy of CT changed from −5.8 to −18.6, −18.9, −19.4, and −20.1 kcal/mol by decorating the Fe, Ru, Rh, and Ir metals into the GaNNT surface, respectively. Also, the corresponding SR dramatically increased to 39.6, 52.3, 63.8, and 106.6. This shows that the sensitivity of the metal-decorated GaNNT (metal@GaNNT) increased by increasing the atomic number of metals. As energy decomposition analysis revealed, the electrostatic, also known as cation-lone pair interaction, was mostly the nature of the interaction between the CT and metal@GaNNT.
In this paper, the density of state (DOS) at Fe metal contact to Titanium dioxide semiconductor (TiO2) has been studied and investigated using quantum consideration approaches. The study and calculations of (DOS) depended on the orientation and driving energies. was a function of TiO2 and Fe materials' refractive index and dielectric constant. Attention has focused on the effect of on the characteristic of (DOS), which increased with the increasing of refractive index and dielectric constant of Fe metal and vice versa. The results of (DOS) and its relation with and values of system have been discussed. As for contact system is increased, (DOS) values increased at first, but the relation is disturbed later and transforms into an inve
... Show MoreStudy of the development of an activated carbon nanotube catalyst for alkaline fuel cell technology. Through the prepared carbon nanotubes catalyst by an electrochemical deposition technique. Different analytical approaches such as X-ray diffraction (XRD) to determine the structural properties and Scanning Electron Microscope (SEM), were used to characterize, Mesh stainless steel catalyst substrate had an envelope structure and a large surface area. Voltages were also obtained at 1.83 V and current at 3.2 A of alkaline fuel cell. In addition, study the characterization of the electrochemical parameters.
Quantum calculations on the most stable structure were carried
out for calculating the electronic properties, energies and the charge
density at the Carbon and Hydrogen atoms by Semi-empirical
method (PM3) of zigzag carbon nano tube CNT (9,0) (SWCNTs), at
the equilibrium geometry depending on the pictures of Zigzag
CNT(9,0) which was found to has D3d symmetry point group by
applying for (Gaussian 2003) program. In this work the results
include calculation the relation for axial bonds length, which are the
vertical C-C bonds (annular bonds) in the rings and bonds length
which are in the outer ring that called the circumferential bonds. Also
include a different kind of vibration modes like breathing, puckering
In this study, nanocomposites have been prepared by adding
multiwall carbon nanotubes (MWCNTs) with weight ratios (0, 2, 3,
4, 5) wt% to epoxy resin. The samples were prepared by hand lay-up
method. Influence of an applied load before and after immersion in
sodium hydroxide (NaOH) of normality (0.3N) for (15 days) at
laboratory temperature on wear rate of Ep/MWCNTs
nanocomposites was studied. The results showed that wear rate
increases with increasing the applied load for the as prepared and
immersed samples and after immersion. It was also found that epoxy
resin reinforced with MWCNTs has wear rate less than neat epoxy.
The sample (Ep + 5wt% of MWCNTs) has lower wear rate. The
immersion effect in base so
The gas material balance equation (MBE) has been widely used as a practical as well as a simple tool to estimate gas initially in place (GIIP), and the ultimate recovery (UR) factor of a gas reservoir. The classical form of the gas material balance equation is developed by considering the reservoir as a simple tank model, in which the relationship between the pressure/gas compressibility factor (p/z) and cumulative gas production (Gp) is generally appeared to be linear. This linear plot is usually extrapolated to estimate GIIP at zero pressure, and UR factor for a given abandonment pressure. While this assumption is reasonable to some extent for conventional reservoirs, this may incur
The influence of acid activation of a mixture of illite, kaolinite, and chlorite clays collected from the area of Zorbatiya (east of Iraq) on the adsorption of methyl violet 6B (MV6B) as a cationic dye was studied. The activation was carried out by using 0.25M HCl and 0.25M . Raw and acid-activated clays were analyzed by atomic force microscopy (AFM), scanning electron microscopy (SEM), and X-ray diffraction (XRD).
Batch adsorption method was used to study the adsorption of MV6B onto the raw and acid activated clays. The impacts of different factors on the adsorption process were studied, such as clay weight, agitation time, starting MV6B concentration, temperature, ionic strength, and solution pH. The adsorption process was desc
... Show MoreWe prepared polythiophene (PTH) with single wall carbon nanotube (SWCNT) nanocomposite thin films for Nitrogen dioxide (NO2) gas sensing applications. Thin films were synthesized via electrochemical polymerization method onto (Indium tin oxide) ITO coated glass substrate of thiophene monomer with magnesium perchlorate and different concentration from SWCNT (0.012 and 0.016) % in the presence130mL of Acetonitrile used. X-ray diffraction (XRD), Field Emission Scanning Electron microscopy (FE-SEM), Atomic Force Microscope (AFM) and Fourier Transform Infrared Spectroscopy (FT-IR) were used to characterized these nanocomposite thin films. The response of these nanocomposite for NO2 gas was evaluated via monitoring the change
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Abstract
Natural gas is characterized by features that made from it a fuel and a raw material for many industries. Deepening its position as a favorite fossil supplier between other types of fossil fuel is the efficiency, diversity of its uses, low costs and compatibility with the environment which leads to increasing of its uses then increased global demand. So, the natural gas must take its place as an important resource in Iraq and participate the oil in the economic development process of building and financing of the general budget.
Iraq is planning to continue of increasing the export capacity of raw oil to meet ambitious production targets emanating from the mai
... Show MoreIn this study, carbon nanotubes were prepared using a pure chemical method modified similar to the Hummers method with simple changes in the work steps. The carbon nanotubes were then coated and reduced on copper and aluminum metals using the electrodeposition method (EDP) for corrosion protection application in seawater medium (NaCl 3.5%) at four different temperatures: 20, 30, 40, and 50 °C, which were studied using three electrode potentiostats. All corrosion measurements, thermodynamics, and kinetics parameters were nominated from Tafel plots. The films deposited by the carbon nanotubes were examined by the SEM technique, and this technique showed the formation of carbon nanotubes.