We have carried out molecular-dynamics simulations for nonmetallic fluid mercury in liquid and vapour phases using a Lennard-Jones type effective potential and shown that the structure factors S(Q) and the dynamic structure factors S(Q,ω ) of nonmetallic fluid mercury obtained by our MD simulations are in good agreement with recent x-ray diffraction and inelastic x-ray scattering experiments. W...

Much of the understanding of bulk liquids has progressed through study of the limiting case in which molecules interact via purely repulsive forces, such as a hard-core potential. In the same spirit, we report progress on the understanding of confined water by examining the behavior of water-like molecules interacting with walls via purely repulsive forces. Specifically, we perform molecular dy...

We present a new method for the prediction of the equilibrium properties of dense gases containing hydrogen isotopes. The proposed approach combines the Feynman-Hibbs effective potential method and a deconvolution scheme introduced by Weeks et al. The resulting equations of state and the chemical potentials as functions of pressure for each of the hydrogen isotope gases depend on a single set o...

We use density functional theory to investigate adsorption of liquid mixtures on solid surfaces modified with end-grafted chains. The chains are modelled as freely joined spheres. The fluid molecules are spherical. All spherical species interact via the Lennard-Jones (12-6) potential. The Lennard-Jones (9-3) potential describes interactions of solvent molecules with the substrate. We study the ...

A stochastic model of the revised Enskog equation is considered. A choice of the smearing function suggested by the work of Leegwater ([1]) is used to apply the model to the repulsive part of the Lennard-Jones potential and the inverse-power soft-sphere potential. The virial coefficients obtained from the equilibrium properties of the models are in excellent agreement with the known exact coeff...

In this paper we present a study of pattern formation in bidimensional systems with competing short-range attractive and long-range repulsive interactions. The interaction parameters are chosen in such a way to analyse two different situations: the spontaneous pattern formation due to the presence of strong competing interactions on different length scales and the pattern formation as a respons...