This work is mainly an investigation of some of the liquid-to-solid properties of pure benzene on a restricted domain of high pressures (20.6< or =P< or =102.9 MPa). Newly obtained equilibrium experimental data and recently developed analytical equation of state are exploited and compared with each other and with previous experimental data. Curves fitted to the pressure, volume discontinuity, a...

The case of a sorption process considered here involves a solid phase (sorbent) and a liquid phase (solvent, normally water) containing a dissolved species to be sorbed (sorbate, e.g. metal ions). Due to the higher ‘affinity’ of the sorbent for the sorbate species the latter is attracted into the solid and bound there by different mechanisms. This process takes place until an equilibrium is est...

The phase diagram of the Gay–Berne model with anisotropy parameters k53, k855 has been evaluated by means of computer simulations. For a number of temperatures, NPT simulations were performed for the solid phase leading to the determination of the free energy of the solid at a reference density. Using the equation of state and free energies of the isotropic and nematic phases available in the e...

Three-phase equilibrium in argon was obtained based on the thermodynamics of a perfect solid and a perfect liquid (v2). The equation of state (EOS) for a perfect solid was obtained from our previous study of a pure substance using spherical molecules. The EOS for a perfect liquid is a van der Waals EOS with the Carnahan-Starling repulsion term to explain 3-phase equilibrium. The Lennard-Jones p...

We discuss the growth process of a crystalline phase out of a metastable over-compressed liquid that is brought into contact with a crystalline substrate. The process is modeled by means of molecular dynamics. The particles interact via the Lennard-Jones potential and their motion is locally thermalized by Langevin dynamics. We characterize the relaxation process of the solid-liquid interface, ...

In this paper, the Lennard -Jones potential is applied to molecules of liquid argon as well as its vapor and platinum as solid surface in order to perform a non-equilibrium molecular dynamics simulation to study the microscopic aspects of liquid-vapor-solid interactions. The channel is periodic in x and y directions and along z direction it is bounded by atomic walls. It was found that density ...

An apparatus is described that is capable of determining high-pressure vapor-liquid equilibrium, liquid-liquid equilibrium, solid-liquid-vapor equilibrium, vapor-liquid-liquid equilibrium, and mixture critical points and transitions. The device is capable of temperatures to 150 degrees C and pressures to 300 bars (higher with slight modifications). The construction and operation are described i...