Results in Physics ( IF 5.3 ) Pub Date : 2020-08-07 , DOI: 10.1016/j.rinp.2020.103285 Ahmed Naceur , Alberto Teyssedou
At relatively high temperatures, the state-of-the-art of the diatomic liquid phononic theory applied to supercritical fluids shows that there exists discrepancies between the theoretical predictions and the experimental data. To overcome this difference, a new formulation of the rotational energy of single molecules that considers the thermal effect upon their moment of inertia, is presented. For a wide range of reduced temperatures and pressures, the predicted values are in very good agreement with CO, O2 and N2 molecular data. It is possible to reduce these discrepancies by a factor of 2 up to around 70 times for some cases. This is essentially because the proposed model improves the rotational energy of the molecule. It implicitly satisfies both the Dulong-Petit law for ideal gases as well as the Frenkel’s line thermodynamic limit.
中文翻译:
在双原子分子的旋转能量中引入热效应
在相对较高的温度下,应用于超临界流体的双原子液体声子理论的最新技术表明,理论预测与实验数据之间存在差异。为了克服这种差异,提出了一种新的单分子旋转能公式,该公式考虑了惯性矩上的热效应。对于各种各样的降低的温度和压力,预测值与CO,O 2和N 2非常吻合分子数据。在某些情况下,可以将这些差异减少2倍,最高可达70倍左右。这主要是因为所提出的模型提高了分子的旋转能。它隐含地满足理想气体的Dulong-Petit定律以及Frenkel线的热力学极限。