Theoretical Prediction of Thermal Properties of K2 Diatomic Molecule Using Generalized Mobius Square Potential

• Published in: International journal of thermophysics Vol. 42; no. 8
• Main Authors: Khordad, R., Ghanbari, A.
• Format: Journal Article
• Language: English
• Published: New York Springer US 2021; Springer Nature B.V
• Subjects: Classical Mechanics; Condensed Matter Physics; Coordinate transformations; Energy levels; Enthalpy; Geophysics; Industrial Chemistry/Chemical Engineering; Mathematical analysis; Partitions (mathematics); Physical Chemistry; Physics; Physics and Astronomy; Schrodinger equation; Thermodynamic properties; Thermodynamics; Generalized Mobius square potential; Thermal properties; Pekeris-type approximation
• ISSN: 0195-928X; 1572-9567
• DOI: 10.1007/s10765-021-02865-2

In the present paper, thermal properties of K 2 diatomic molecule were theoretically investigated. To this goal, we have used the generalized Mobius square (GMS) potential and obtained the rotational–vibrational energy levels of the GMS potential analytically. The Schrödinger equation (SE) was solved by considering a Pekeris-type approximation framework and a suitable coordinate transformation. Using the calculated energy levels, we can analytically obtain the partition function and thereby thermal properties of the K 2 molecule such as mean energy, entropy, enthalpy and etc. Comparison of our results with experimental data shows a good agreement. Our results reveal that the GMS potential is a suitable candidate to predict the thermal properties of the K 2 molecule. We can use the model to predict thermal properties at the temperature ranges where there are no experimental results.