Introducing thermal effects in the rotational energy of diatomic molecules

Introducing thermal effects in the rotational energy of diatomic molecules

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...

Full description

Bibliographic Details
Main Authors: Ahmed Naceur, Alberto Teyssedou
Format: Article
Language:English
Published: Elsevier 2020-09-01
Series:Results in Physics
Subjects:
Phonon liquid theory
Frenkel line
Widom line
Rotational molecular energy
Distortion
Supercritical fluid
Online Access:http://www.sciencedirect.com/science/article/pii/S2211379720317526
id doaj-c9e128d27d094f87b906f761bc0f4a99
record_format Article
spelling doaj-c9e128d27d094f87b906f761bc0f4a992020-11-25T03:42:59ZengElsevierResults in Physics2211-37972020-09-0118103285Introducing thermal effects in the rotational energy of diatomic moleculesAhmed Naceur0Alberto Teyssedou1Department of Engineering Physics, Nuclear Engineering Institute, École Polytechnique de Montréal, Montréal, Qc, Canada; Canadian Nuclear Laboratories Collaboration, Chalk River (ON), CanadaDepartment of Engineering Physics, Nuclear Engineering Institute, École Polytechnique de Montréal, Montréal, Qc, Canada; Canadian Nuclear Laboratories Collaboration, Chalk River (ON), CanadaAt 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.http://www.sciencedirect.com/science/article/pii/S2211379720317526Phonon liquid theoryFrenkel lineWidom lineRotational molecular energyDistortionSupercritical fluid
collection DOAJ
language English
format Article
sources DOAJ
author Ahmed Naceur
Alberto Teyssedou
spellingShingle Ahmed Naceur
Alberto Teyssedou
Introducing thermal effects in the rotational energy of diatomic molecules
Results in Physics
Phonon liquid theory
Frenkel line
Widom line
Rotational molecular energy
Distortion
Supercritical fluid
author_facet Ahmed Naceur
Alberto Teyssedou
author_sort Ahmed Naceur
title Introducing thermal effects in the rotational energy of diatomic molecules
title_short Introducing thermal effects in the rotational energy of diatomic molecules
title_full Introducing thermal effects in the rotational energy of diatomic molecules
title_fullStr Introducing thermal effects in the rotational energy of diatomic molecules
title_full_unstemmed Introducing thermal effects in the rotational energy of diatomic molecules
title_sort introducing thermal effects in the rotational energy of diatomic molecules
publisher Elsevier
series Results in Physics
issn 2211-3797
publishDate 2020-09-01
description 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.
topic Phonon liquid theory
Frenkel line
Widom line
Rotational molecular energy
Distortion
Supercritical fluid
url http://www.sciencedirect.com/science/article/pii/S2211379720317526
work_keys_str_mv AT ahmednaceur introducingthermaleffectsintherotationalenergyofdiatomicmolecules
AT albertoteyssedou introducingthermaleffectsintherotationalenergyofdiatomicmolecules
_version_ 1724522092742836224

Similar Items