article · Thermal advances.
A Varshni potential and a Coulomb potential are combined as a single potential to produce energy levels. The vibrational thermodynamic properties such as the enthalpy, Gibbs free energy and entropy are obtained via the vibrational partition function and its derivatives calculated from energy levels of the combined potentials. The vibrational thermodynamic properties of four subset potentials of the mother potential are also studied as special cases. The result of this study shows that the features of the thermodynamic properties as a function of temperature for the mother potential and the Varshni potential as one of the subset potentials, exhibit the same characteristics while the thermodynamic properties of the remaining three subset potentials exhibit the same features. The features of these three subset potentials follow the trends of many molecular potentials for some molecules. However, the Gibbs free energy of both the mother potential and the subset potentials exhibits the same variation with temperature.
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DOI: 10.1016/j.thradv.2024.100001
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