Ne/Xe at very high pressures

Abstract

Recent measurements have been used to build a Lennard-Jones potential model for a mixture of Ne/Xe at pressures around 20 kbar. Molecular dynamics (MD) calculations were performed for 864 particles to show a phase separation in this mixture in agreement with the experimental findings. All the MD computations indicated that the Lennard-Jones potentials describe the properties of the mixture at these very high pressures. There was no need to describe the repulsive part of the potential functions by an exponential form. Due to the lack of experimental density data, a comparison of the MD generated densities and those determined by the Deiters equation of state was made for pressures of 1000 bar. Good agreement was found which confirms the usefulness of the potential model. Solid phases were not observed for pressures at which these were found experimentally. A study of an amorphous state at 10 kbar indicated a tendency to homogeneous freezing.