4.5 Article

Exact analytical calculations of thermodynamic functions of gaseous substances

Journal

CHEMICAL PHYSICS
Volume 517, Issue -, Pages 30-35

Publisher

ELSEVIER
DOI: 10.1016/j.chemphys.2018.09.038

Keywords

Gaseous substances; Thermodynamic functions; Diatomic molecules

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We have considered the improved Tietz potential for diatomic molecules. We have analytically solved the Schrodinger equation for this potential model and derived the analytical expression for the energy spectra. Then, we have analytically obtained the thermodynamic functions for six gaseous substances such as HCl, HF, DF, BBr, CO and NO using the potential model. For this goal, we have calculated mean energy, specific heat, and free energy and compared with experimental data. Our results show that the calculated thermodynamic properties at room temperature are in agreement with experimental data.

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