Introducing thermal effects in the rotational energy of diatomic molecules

Results in Physics

Alberto Teyssedou¹  Ahmed Naceur² 

[1] Canadian Nuclear Laboratories Collaboration, Chalk River (ON), Canada;Department of Engineering Physics, Nuclear Engineering Institute, École Polytechnique de Montréal, Montréal, Qc, Canada;

关键词: Phonon liquid theory;    Frenkel line;    Widom line;    Rotational molecular energy;    Distortion;    Supercritical fluid;   

DOI  :  

来源: DOAJ

【 摘 要 】

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.

【 授权许可】

Unknown