The thermodynamic properties of fluids can be predicted using the global equations of state. Among these thermodynamic properties of fluids, we choose the densities of the liquid and vapor phases. This paper considers the application of the crossover model to the vapor-liquid rectilinear diameter of ethane. We also present a comparison of the crossover model equation with the experimental data....

The present study investigates the effect of temperature-induced change of phase from face centred cubic solid to liquid on the size dependence of self diffusivity of solutes through detailed molecular dynamics simulations on binary mixtures consisting of a larger solvent and a smaller solute interacting via Lennard-Jones potential. The effect of change in density during the solid-liquid transi...

We performed molecular dynamics simulations to study the equilibrium and flow properties of a liquid in a nano-channel with confining surfaces coated with a layer of grafted semiflexible polymers. The coverage spans a wide range of grafting densities from essentially isolated chains to dense brushes. The end-grafted polymers were described by a bead spring model with a harmonic potential to inc...

The simplified perturbed chain statistical associating fluid theory (sPC-SAFT) Equation of State (EOS) was proposed to describe the thermodynamic properties of pure ionic liquids (ILs). A set of sPC-SAFT parameters for 2 ILs was obtained by fitting the experimental liquid densities data over a wide range of temperature at atmospheric pressure. Good agreement with experimental density data was o...

in this article, the crystallization of polyethylene is investigated by the modified weighted density approximation. also, a direct correlation function of polyethylene based on the rism theory is used. the free energy of a polyethylene is calculated using the density functional theory. the crystallization and also the solid and liquid densities of polyethylene are calculated and compared with ...

      In this article, the crystallization of polyethylene is investigated by the modified weighted density approximation. Also, a direct correlation function of polyethylene based on the RISM theory is used. The free energy of a polyethylene is calculated using the density functional theory. The crystallization and also the solid and liquid densities of polyethylene are calculated and compared...

Densities, structural effects and viscosities of binary nonelectrolyte systems including nitrobenzene + 2-propanol, 2-butanol and 2-pentanol at temperatures (293.15 to 323.15) K and normal atmospheric pressure were measured using an Anton-Paar SVM 3000 stabinger viscometer. Excess molar volumes  and viscosity deviations Δη were calculated and correlated by the Redlich-Kister equation to estimat...

In the past few years, the bactericidal effect of atmospheric pressure plasmas have gained significant attention in dermatology and for application like the sterilisation of heat sensitive medical devices such as endoscopes, dentist and surgical tools. Previous research performed at the TUe by van Gils et al has shown that plasma induced liquid chemistry is important in the inactivation of bact...