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.
The primary purpose of this paper is to introduce the, 2- coprobabilistic normed space, coprobabilistic dual space of 2- coprobabilistic normed space and give some facts that are related of them
Background: This review aims to discuss various canine retraction techniques using frictionless mechanics. Methods: Between 1930 and February 2022, searches were conducted about various canine retraction techniques using fixed orthodontic appliances in various databases, including PubMed Central, Science Direct, Wiley Online Library, the Cochrane Library, Textbooks, Google Scholar, Research Gate, and manual searching. Results: After removing the duplicate articles, publications that described how to use archwires to perform canine retraction with the archwires were included. Conclusions: The pros and cons of various canine retraction techniques using archwires were thoroughly discussed. T-loop is the preferred spring of all because of it
... Show MoreA dynamic analysis method has been developed to investigate and characterize embedded delamination on the dynamic response of composite laminated structures. A nonlinear finite element model for geometrically large amplitude free vibration intact plate and delamination plate analysis is presented using higher order shear deformation theory where the nonlinearity was introduced in the Green-Lagrange sense. The governing equation of the vibrated plate were derived using the Variational approach. The effect of different orthotropicity ratio, boundary condition and delamination size on the non-dimenational fundamental frequency and frequency ratios of plate for different stacking sequences are studied. Finally th
... Show MoreIn the present study, a novel ligand (L) made of 2-hydroxynaphthaldehyde and 3-hydrazone-1,3-dihydro-indole-2-one(3-[(3-hydroxynaphthalen-2-yl-ethylidene)-hydrazono]-1,3-dihydro-indol-2-one). The ligand was characterized by FTIR, UV-vis, mass, 1H-NMR, 13C-NMR, and CHN elemental analysis. New complexes of this ligand were created by treating methanol and a drop of DMF solution of the produced ligand with the hydrated metal salts of Mn(II), Co(II), Ni(II), Cu(II), and Zn(II) in a molar ratio of 2:1 (L:M). As a result, complexes have been emerged and identified FTIR, UV-vis, C.H.N., chloride-containing, molar conductance, magnetic susceptibility, and atomic absorption. The characterization result for each complex indicated complexes wi
... Show MoreToxic dyes are commonly discharged into waste waters and dyes are extensively used in the textile industry so it is necessary to find out efficient and eco-friendly method for treating waste waters resulting from industrial effluences. To achieve this aim the fungus Trichoderma sp. is employed into two lines: first line was self – immobilized fungal pellets in (Czapek – Dox medium) to adsorbs two dyes crystal violet, congo red by concentrations 0.01, 0.02, 0.03, 0.04, 0.05, 0.06 mg/L to both dyes, PH 2, room temperature with shaker in ( hrs.2,hrs.4,hrs.24) , by Uv- Visible spectrum . the removal efficiency of 0.05 mg/L crystal violet by Trichoderma sp was 96%. but there was no remova
... Show MoreUltimate oil recovery and displacement efficiency at the pore-scale are controlled by the rock wettability thus there is a growing interest in the wetting behaviour of reservoir rocks as production from fractured oil-wet or mixed-wet limestone formations have remained a key challenge. Conventional waterflooding methods are inefficient in such formation due to poor spontaneous imbibition of water into the oil-wet rock capillaries. However, altering the wettability to water-wet could yield recovery of significant amounts of additional oil thus this study investigates the influence of nanoparticles on wettability alteration. The efficiency of various formulated zirconium-oxide (ZrO2) based nanofluids at different nanoparticle concentrations (0
... Show MoreN, N′- bis[4-hydroxy phenyl] pyromillitdiimide [II] was prepared from the corresponding diamic acid , which was transfered to its new ester by the reaction with chloroethyl acetate [III ], [III] was used to prepare the novel hydrazide derivative [IV] , which was allowed to react with several aldehydes to yield the hydrazones [V – IX]. All the new compounds were synthesized , and characterized by their melting points .HNMR for some of them1FTIR,C,H,N analysis and ,