‎the water wave generation by wave paddle and a freely falling rigid body are examined by using an incompressible smoothed particle hydrodynamics (isph)‎. ‎in the current isph method‎, ‎the pressure was evaluated by solving pressure poisson equation using a semi-implicit algorithm based on the projection scheme and the source term of pressure poisson equation contains both of divergence free ve...

The structure of confined water is governed by a delicate interplay between water-substrate and water-water interactions. Motivated by recent experimental studies on water in graphene nanocapillaries, two-dimensional water layers have been addressed by first-principles electronic structure calculations. In order to identify the structure-determining factors, first calculations for free-standing...

The intermolecular forces between water molecules are of great importance in many areas of chemistry including solvation, solution chemistry, and biochemistry. As a result of this (H2O)n systems have received a great significant of attention, both experimental and theoretical. All calculation of this study are carried out by Gaussian 98 soft ware. Geometry optimization for each cluster were be ...

Polypyrrole–hydroxyethylcellulose/TitaniumDioxide (PPy-HEC/TiO2) nanocomposite was synthesized via in situ chemical oxidative polymerization method at room temperature in water and water/ethyl acetate solution in the presence of ferric chloride (FeCl3). The effect of TiO2 nanoparticles and HEC on the characteristics of products such as thermal stability and morphology was investigated. The fabr...

  Objective(s): The objective of this study was to design a topical microemulsion of Vit B12 and to study the correlation between internal structure and physicochemical properties of the microemulsions. Microemulsions are thermodynamically stable mixtures of water, oil, surfactants and usually cosurfactants with several advantages for topical and transdermal drug delivery. The formul...

it is well known that the chemical behavior of a compound is dependent upon the structure of itsmolecules. quantitative structure – activity relationship (qsar) studies and quantitative structure –property relationship (qspr) studies are active areas of chemical research that focus on the nature ofthis dependency. topological indices are the numerical value associated with chemical constitution...

It is inferred that the formation of an electrical double layer in phospholipid membranes is affected by the modified water. structure at the membrane/water interface. Theoretical evidence is presented indicating a decrease in the number density of water hydrogen bonds and the appearance of a layer of spontaneously polarized water at the solid/water interface which are the eonsequence of the or...

Understanding the details of water interacting with graphene is essential for various applications, such as desalination, energy storage, and catalysis. However, hydrogen-bonding structure at graphene-water interface has not been fully understood. Vibrational sum frequency generation (VSFG) spectroscopy suited to elucidate interfaces. With varying numbers layers or tuning doping level a single ...