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Computing thermodynamic properties of some diatomic molecules using a q-deformed Scarf-like potential.

Authors :
Bakhti, Hadjer
Diaf, Ahmed
Hachama, Mohammed
Source :
Molecular Physics. Dec2022, Vol. 120 Issue 23, p1-10. 10p.
Publication Year :
2022

Abstract

This paper computes the vibrational partition function of some diatomic molecules using an improved energy spectrum obtained recently with the q-deformed hyperbolic Scarf-like potential. Compared to the experimental energy curves, this potential proved to represent well the interaction between the atoms in the studied molecules. The related thermodynamic functions are derived for the K 2 , ScI and L i 2 molecules. Results demonstrated that the computed molecular entropy is in very good agreement with the experimental data for a large range of temperature values. In addition, results are given for the ScI molecule for which no experimental entropy values exist. Our results can serve as a reference to experimental studies in chemical physics. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
00268976
Volume :
120
Issue :
23
Database :
Academic Search Index
Journal :
Molecular Physics
Publication Type :
Academic Journal
Accession number :
160755122
Full Text :
https://doi.org/10.1080/00268976.2022.2133752