the present work is the successful extension of an improved equation of state (eos) to refrigerant fluids. the objective is the prediction of isothermal and saturated liquid densities of refrigerants. two temperature-independent parameters appearing in the modified eos are closely related to critical point properties of refrigerant fluids. our results showed that, the proposed eos can predict w...

The structure and relative stability of Molybdata-Phosphonic Acid (MP) Complex in different solventshave been carried out using Density Functional Theory (DP[) methods. The methods me used forcalculations are B3LYP and 83PW91. that have been studied in two series of basis sets: D95"and 6-31+0(cl,p) for hydrogen and oxygen atoms; LANL2OZ for Mn and Phosphorus. Predicted geometw and relativestabi...

In this paper, we have obtained and presented new relativistic stellar configurations considering an anisotropic fluid distribution with a charge distribution and a gravitational potential Z(x) that depends on an adjustable parameter. The quadratic equation of state based on Feroze and Siddiqui viewpoint is used for the matter distribution. The new solutions can be written in terms of elementar...

In this study, the adsorption of 4-hydroxy phenyl-azobenzene on the surface of (4, 0) zigzag open-end boron nitride nanotube (BNNT) has been investigated by quantum calculations. In order to find the preferred adsorption site, different positions and orientations were considered. The impacts of donor-acceptor electron delocalization on the structural and electronic properties and reactivity of ...

   Physical study of nano ribbon, tetragonal bundled and isolated nano tube SiC (7,0) are part of our project in knowing new nano material such a silicon carbide. These studies have been performed by density function theory. Effect of ribboning, tubulating and tetragonal bundling on the physical properties such as stability, structural constants, optical physics, chemical parameters and mag...

We have investigated structure and electronic properties of Au and Si liner chains using the firstprinciplesplane wave pseudopotential method. The transport properties and conductance of these twoliner chains are studied using Landauer approaches based on density functional theory (DFT). Weobtain density of states and band gap using Kohn-Sham and Wannier functions as well as quantumconductivity...

A semi-empirical equation of state has been studied for modelling vapour-liquid data of pure substances. The specific molecular based equation of state is employed here as basis because of its mathematical simplicity. The semi-empirical extension has been accomplished to real fluids by correlating the density dependence of the attraction term to vapour liquid data of a reference fluid. The resu...

An analytical equation of state is applied to calculate the thermodynamic properties for argon. Theequation of state is that of Song and Mason. It is based on a statistical-mechanical perturbation theory ofhard convex bodies and can be written as fifth-order polynomial in the density. There exist three temperaturedependentparameters: the second virial coefficient, an effective molecular volume,...