Based on the density functional theory (DFT) , the stability of molecular complexes has been predicted according to hard-soft acid base (HSAB) theory. Relative stability of products and reactivity of soft base sulfide derivatives with halogens (Iodine , Bromine , Chlorine) as soft acid was studied to determine the relative ability of these reactants causing the reaction to be more spontaneous.
DFT at the levels of B3LYP/3-21G and B3LYP/3-21G (d) was used to study HOMO LUMO energy gaps , bonds length and total energy to calculate the softness sequence of each type of acid or base mentioned in this work. All cases studied prove that iodine can be considered as the most softness acid and ethyl methyl sulfide≈ dimethyl sulfide the most

      Negotiations are distinguished in that they are an easy and simple means between the conflicting parties, and it is an effective means at the same time as the conflicting parties seek understanding on the most effective way to solve their dispute, but negotiations are not always appropriate to resolve international disputes, especially when there is a disparity in power between the negotiating countries, or when it is missing Goodwill, or even when one of the parties is absent or less flexible, and the internal circumstances of one of the conflicting countries may play a negative or positive role in the success of the negotiations, away from the influence of the role of external variables in that, a

All-optical canonical logic units at 40 Gb/s using bidirectional four-wave mixing (FWM) in highly nonlinear fiber are proposed and experimentally demonstrated. Clear temporal waveforms and correct pattern streams are successfully observed in the experiment. This scheme can reduce the amount of nonlinear devices and enlarge the computing capacity compared with general ones. The numerical simulations are made to analyze the relationship between the FWM efficiency and the position of two interactional signals. © 2015 Chinese Laser Press

       Using orbit- motion limited theory, as the exact theory in calculating the ion and electron current in dusty plasma, the variations of charge number on a dust grain in Ar-plasma are studied by changing various charging parameters. Most of dependences of charge number on plasma parameters in this paper take into account the close packed effect.

     In this study, pure polylactic acid (PLA) and composite polylactic acid/ curcumin (PLA / Cur) were prepared by a suspension of ultrasonically agitated micrometer-sized curcumin powder, which was mixed with chloroform solvent  under slow mechanical stirring and incorporated into the PLA. The resulting suspension was used to cast free-standing PLA / Cur composite films. The filler content was chosen to be 2.0 wt % curcumin. Physical properties (glass transition, temperature, mechanical and thermodynamic) were analyzed by Positron Annihilation Lifetime Spectroscopy (PALS), which is a unique tool for analyzing the defects of polymer materials. The free volume and holebility of PLA and PLA / Cur were studied&nbsp

Fiber‐reinforced elastic laminated composites are extensively used in several domains owing to their high specific stiffness and strength and low specific density. Several studies were performed to ascertain the factors that affect the composite plates’ dynamic properties. This study aims to derive a mathematical model for the dynamic response of the processed composite material in the form of an annular circular shape made of polyester/E‐glass composite. The mathematical model was developed based on modified classical annular circular plate theory under dynamic loading, and all its formulas were solved using MATLAB 2023. The mathematical model was also verified with real experimental work involving the vibration test of the f

Based on a finite element analysis using Matlab coding, eigenvalue problem has been formulated and solved for the buckling analysis of non-prismatic columns. Different numbers of elements per column length have been used to assess the rate of convergence for the model. Then the proposed model has been used to determine the critical buckling load factor () for the idealized supported columns based on the comparison of their buckling loads with the corresponding hinge supported columns . Finally in this study the critical buckling factor () under end force (P) increases by about 3.71% with the tapered ratio increment of 10% for different end supported columns and the relationship between normalized critical load and slenderness ratio was g

PVC/Kaolinite composites were prepared by the melt intercalation method. Mechanical properties, thermal properties, flammability and water absorption percentage of prepared samples were tested. Mechanical characteristic such as tensile strength, elongation at break; hardness and impact strength (charpy type) were measured for all samples. It was found that the tensile strength and elongation at break of PVC composites decreased with increasing kaolinite loading. Also, the hardness of the composites increases with increase in filler content .The impact strength of the composites at the beginning increases at lower kaolinite loadings is due to the lack of kaolin adhesion to the matrix. However, at higher kaolin loadings. This severe agglom