Extraction of the Density Fluctuations in Diatomic Fluids Around the Critical Points Using Molecular Dynamics Simulation
Extraction of the Density Fluctuations in Diatomic Fluids Around the Critical Points Using Molecular Dynamics Simulation
复制标题
利用分子动力学模拟提取双原子流体临界点附近的密度波动
DOI：
10.1166/jnn.2015.9623
复制
发表时间：
2015
影响因子：
--
通讯作者：
and Takashi Tokumasu
中科院分区：
文献类型：
--
作者：
Shin-ichi Tsuda;Masato Tomi;Nobuyuki Tsuboi;Shohei Ikawa;and Takashi Tokumasu
研究非极性双原子流体临界点附近密度涨落的对应态原理。本文对2CLJ流体临界点附近的涨落结构进行了分子动力学(MD)模拟研究，发现2CLJ流体的各向异性与分子伸长有关。结果表明，在分子伸长相对较短的2CLJ流体中，由于每个伸长的密度波动几乎都表现出相似的值，所以可以满足对应态原理。另一方面，一些结果表明，具有较长伸长率的2CLJ流体减小了密度波动，但还需要进一步的详细研究。
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.