Both traditional and novel techniques were employed in this work for magnetic shielding evaluation to shed new light on the magnetic and aromaticity properties of benzene and 12 [n]paracyclophanes with n = 3–14. Density functional theory (DFT) with the B3LYP functional and all-electron Jorge-ATZP and x2c-TZVPPall-s basis sets was utilized for geometry optimization and magnetic shielding calculations, respectively. Additionally, the 6-311+G(d,p) basis set was incorporated for the purpose of comparing the magnetic shielding results. In addition to traditional evaluations such as NICS/NICSzz-Scan, and 2D-3D σiso(r)/σzz(r) maps, two new techniques were implemented: bendable grids (BGs) and cylindrical grids (CGs) of ghost atoms (Bqs). BGs allow for the recording of magnetic shielding from the bent ring levels of [n]pCPs, while CGs provide tubular magnetic shielding scan (TMSS) maps detailing the magnetic shielding from a cylindrical region above and below the ring frame. Our findings suggest that smaller [n]pCPs with n < 6 exhibit deviations in the magnetic shielding above and below the ring, indicating a broken electron delocalization under the ring. In contrast, larger [n]pCPs tend to behave similarly to benzene in terms of magnetic shielding. Moreover, we found that shorter polymethylene chains of [n]pCPs exhibit significantly higher magnetic shielding interactions with the ring. Both of the above techniques offer new and promising tools for characterizing nonplanar aromatic compounds, thereby contributing to a deeper understanding of their magnetic and electronic properties.
The response of floating stone columns of different lengths to diameter ratio (L/D = 0, 2, 4, 6, 8, and 10) ratios exposed to earthquake excitations is well modeled in this paper. Such stone column behavior is essential in the case of lateral displacement under an earthquake through the soft clay soil. ABAQUS software was used to simulate the behavior of stone columns in soft clayey soil using an axisymmetric finite element model. The behavior of stone column material has been modeled with a Drucker-Prager model. The soft soil material was modeled by the Mohr-Coulomb failure criterion assuming an elastic-perfectly plastic behavior. The floating stone columns were subjected to the El Centro earthquake, which had a magnitude of 7.1 an
... Show MoreThe purpose of this preliminary study is to verify the possibility of using Iraqi Zahdi date palm biomass as a resource for biogas production, methane in particular using thermophilic anaerobic digestion with waste water treatment activated sludge. Moreover, is to investigate the influence of extra nutrients addition to the digestion mixture. Biogas was captured in sealed jars with remote sensing modules connected to computer with integrated program to record the gas pressure continuously. A total gas pressure with 67% Methane was produced from date pulp waste fermentation with a yield of 0.57 Lit for each gram volatile solid of substrate. Addition of 1% yeast extract solution as nutrient increased Methane yield in liters by 5.9%. This i
... Show MoreAbstract: The issue of rebuilding the strategiccapacity of Iraq after the occupation and the US invasion in 2003 has been oneof the most contentious issues of debate and debate. It raises a number ofpolitical, social, economic, military and security problems. We say politicalprimarily because the climate and political conditions play a large and activerole along with other factors complementary to them. The important questionthat arises here is: How can the ruling political blocs move to the stage ofreconstruction without reservations? In order to answer this question, wedivided the study into three main axes. The first deals with the concept ofpower and its types. The second axis deals with the relationship betweenstrategic capa
... Show MoreA cantilever beam is made from composite material which is consist of (matrix: polyester) and (particles: Silicon-Carbide) with different volume fraction of particles. A force is applied at the free end of beam with different values. The experimental maximum deflection of beam which occurs at the point of the applied load is recorded. The deflection and slope of beam are analyzed by using FEM modeling. MATLAB paltform is built to assemble the equations, vector and matrix of FEM and solving the unknown variables (deflection and slope) at each node. Also ANSYS platform is used to modeling beam in finite element and solve the problem. The numerical methods are used to compare the results with the theoretical and experimental data. A good ag
... Show MoreThe research aims to explore the difficulties that encounter teaching geography of cities as perceived by female students. A total of (113) third stage female students / Geography Dept / college of education for women were chosen as a sample for the study. To collect the required data, a questionnaire was used as an instrument; it consisted of six parts represent teaching difficulties. It was a three-point Likert scale instrument with 1 signifying ‘main difficulty, 2 ‘sub-difficulty, and 3 ‘no difficult'. The difficulties organized in descend order, to analyze data, SPSS tool was used. The results revealed that the difficulties of content ranged (2.15-1.18), difficulties of education techniques ranged (2.47-2.04), difficulties of t
... Show MoreInfection of the gastric mucosa with Helicobacter pylori is strongly associated with chronic gastritis, peptic ulcer and gastric cancer. Helicobacter pylori virulence factors include a variety of proteins that are involved in its pathogenesis, such as VacA and CagA. Another group of virulence factors is clearly important for colonization of H.pylori in the gastric mucosa. These include urease, motility factors (flagellin), and Superoxide dismutase (SOD). Because of this organism's microaerophilic nature and the increased levels of reactive oxygen in the infected host, we expect that other factors involved in the response to oxidative stress are likely to be required for virulence. Superoxide dismutase is a near
... Show MoreThe main objective of this research is to design and select a composite plate to be used in fabricating wing skins of light unman air vehicle (UAV). The mechanical properties, weight and cost are the basis criteria of this selection. The fiber volume fraction, fillers and type of fiber with three levels for each were considered to optimize the composite plate selection. Finite element method was used to investigate the stress distribution on the wing at cruise flight condition in addition to estimate the maximum stress. An experiments plan has been designed to get the data on the basis of Taguchi technique. The most effective parameters at the process to be find out by employing L9
... Show MorePolymer additives binder system provides many properties useful in thermal energy storage (TES) then developed the efficient energy storage materials and green strength bodies system.
This paper studies the thermal energy storage property for polyvinyl alcohol (PVOH) / paraffin wax (WPw) blends. To enhance paraffin wax thermal conductivity, PVOH as a material which high conductivity was employed. A fixed weight of Paraffin wax was dispersed with PVOH heterogeneously at different additive weights ratios of PVOH/Pw (50/50, 67/33, 75/25, and 80/20) wt. ratio respectively. The composite material was prepared using wetted pressing method.
Both base materials (polyvinyl alcohol and paraffin wax) were scanned using differential
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