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.
Stable isotope composition of δ2H and δ18O was investigated in the water resources of the Shwan sub-Basin northeast of Iraq. The study objects conceived the possible factors that affect the stable isotopes’ composition in precipitation additionally to achieve information concerning recharge processes and estimate the groundwater recharge sources. In this study, four precipitation samples were collected at the study area for the 2020–2021 hydrological year. Thirty-two groundwater samples and one surface water sample from Lesser Zab River (LZR) were collected during the same period for two sampling seasons. The results of observed meteorological data show a very small amount of pr
Hybrid architecture of ZnO nanorods/graphene oxide ZnO-NRs@GO synthesized by electrostatic self-assembly methods. The morphological, optical and luminescence characteristics of ZnO-NRs@GO and ZnO-NRs thin films have been described by FESEM, TEM, HRTEM, and AFM, which refers to graphene oxide have been coated ZnO-NRs with five layers. Here we synthesis ZnO-NRs@GO by simple, cheap and environmentally friendly method, which made it favorable for huge -scale preparation in many applications such as photocatalyst. ZnO-NRs@GO was applied as a photocatalyst Rodamin 6 G (R6G) dye from water using 532 nm diode laser-induced photocatalytic process. Overall degradation of R6G/ ZnO-NRs@GO was achieved after 90 minutes of laser irradiation while it ne
... Show MoreBackground: Nephrotic Syndrome (NS) is a clinical entity having multiple causes, characterized by increased glomeular permeability manifested by massive protein urea with variable Tendency towards edema, hypaalbumineima and hyperlipidemia.
A simple method was used to create a graphene oxide/chitosan (GO/CS) nanocomposite, which was then used in batch experiments to remove copper ions from industrial wastewater under various conditions of initial concentration, adsorbent weight, pH, and contact time. Maximum removal percentage equal to 99.4 % for initial copper ion concentration of 5x10-2 mol/L at pH 6, time 75 min, temperature 25 °C, and adsorbing dose 0.1 g. The pseudo-second order kinetic model and the Freundlich isotherm adequately fit the experimental results. The process was spontaneous and endothermic, according to thermodynamic studies.
This study focused on the soil of the Al-Khassa Sub Basin, thirty-four soil samples were collected from different areas of land use and differences in human activity.
Physicochemical properties of the soil were examined Hydrogen Potential (pH), Organic Matter (O.M), Loss Of Ignition (L.O.I), Total Organic Carbon (TOC), Cation Exchange Capacity (CEC) and Total Hydrocarbon (THC).
Hydrogen Potential (pH) showed that the soil is alkaline above seven with a mean 7.98.
Organic Matter (O.M) of the study area with a mean 1.28 % and high value found in Agricultural areas.Cation Exchange Capacity (CEC) with a mean 42.64 (cmol/kg) that is proportional to the granular size of the soil that silty c
... Show MoreAn impressed current cathodic protection system (ICCP) requires measurements of extremely low-level quantities of its electrical characteristics. The current experimental work utilized the Adafruit INA219 sensor module for acquiring the values for voltage, current, and power of a default load, which consumes quite low power and simulates an ICCP system. The main problem is the adaptation of the INA219 sensor to the LabVIEW environment due to the absence of the library of this sensor. This work is devoted to the adaptation of the Adafruit INA219 sensor module in the LabVIEW environment through creating, developing, and successfully testing a Sub VI to be ready for employment in an ICCP system. The sensor output was monitored with an Arduino
... Show MoreAn impressed current cathodic protection system (ICCP) requires measurements of extremely low-level quantities of its electrical characteristics. The current experimental work utilized the Adafruit INA219 sensor module for acquiring the values for voltage, current, and power of a default load, which consumes quite low power and simulates an ICCP system. The main problem is the adaptation of the INA219 sensor to the LabVIEW environment due to the absence of the library of this sensor. This work is devoted to the adaptation of the Adafruit INA219 sensor module in the LabVIEW environment through creating, developing, and successfully testing a Sub VI to be ready for employment in an ICCP system. The sensor output was monitored with an Ardui
... Show MoreIn this study, an improved process was proposed for the synthesis of structure-controlled Cu2O nanoparticles, using a simplified wet chemical method at room temperature. A chemical solution route was established to synthesize Cu2O crystals with various sizes and morphologies. The structure, morphology, and optical properties of Cu2O nanoparticles were analyzed by X-ray diffraction, SEM (scanning electron microscope), and UV-Vis spectroscopy. By adjusting the aqueous mixture solutions of NaOH and NH2OH•HCl, the synthesis of Cu2O crystals with different morphology and size could be realized. Strangely, it was found that the change in the ratio of de-ionized water and NaOH aqueous solution led to the synthesis of Cu2O crystals of differen
... Show MoreThe reservoir characteristics of the Pre-Santonian Eze-Aku sandstone were assessed using an integrated thin section petrography and SEM Back-Scattered Electron (BSE) imaging methods. Fresh outcrop data were collected in the Afikpo area (SE Nigeria). Twenty-eight representative samples from the different localities were analysed to obtain mineralogical and petrographical datasets germane for reservoir characterisation. Thin section petrography indicates that the sandstones are medium-grained, have an average Q90F10L0 modal composition, and are classified as mainly sub-arkose. The sandstones on SEM reveal the presence of cement in the form of quartz overgrowths, authigenic clays and feldspar. From epoxy-sta
... Show More