Extraction of the Density Fluctuations in Diatomic Fluids Around the Critical Points Using Molecular Dynamics Simulation

J Nanosci Nanotechnol. 2015 Apr;15(4):3117-20. doi: 10.1166/jnn.2015.9623.

Abstract

The objective in this study is the investigation of the principle of corresponding state for the density fluctuation around the critical points of non-polar diatomic fluids. In this paper, we conducted Molecular Dynamics (MD) simulation for the extraction of the fluctuation structure around the critical points of 2-Center-Lennard-Jones (2CLJ) fluids, which have anisotropy depending on the molecular elongation. As a result, in the 2CLJ fluids which have comparatively shorter molecular elongations, the principle of corresponding state can be satisfied because almost all density fluctuations in each elongation showed the similar values. On the other hand, some of the results suggested that the 2CLJ fluids which have the longer elongation decrease the density fluctuation although the further detailed investigation is necessary.

Publication types

  • Research Support, Non-U.S. Gov't