J0540307 Molecular Dynamics Analysis of static and dynamic fluctuation structure of diatomic fluids around the critical point

Abstract

In our study, we investigated fluctuation structure of diatomic fluids around the critical point. We used molecular dynamics simulation to evaluate the principle of corresponding state of fluctuation structure of 2-center-Lennard-Jones fluid which has molecular elongation as a parameter. We evaluated the static fluctuation structure by calculating dispersion of number of molecules at divided cells and static structure factor. As results, the principle of corresponding state on the static fluctuation structure is satisfied because static fluctuation structure does not have dependence on molecular elongation. On the other hand, dynamic fluctuation structure of fluid which has longer molecular elongation disagrees with dynamic fluctuation structure of fluid which has shorter molecular elongation. Therefore, it was found that the principle of corresponding state of dynamic fluctuation structure might not be satisfied.