A four-parameters model for molar entropy calculation of diatomic molecules via shifted Tietz-Wei potential

Ridha Horchani*, Haikel Jelassi

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

8 Citations (Scopus)

Abstract

We present an accurate and a new closed-form representation for the molar entropy of gaseous diatomic molecule substances. The predicted molar entropy is in excellent agreement with experimental data in a wide range of temperature for CsO, CsF and CsCl molecules. The average relative deviation of the obtained values from experimental data are 0.272%, 0.359% and 0.361% for CsO, CsF and CsCl molecules, respectively. The present model needs only to know the experimental values of four parameters which are dissociation energy, equilibrium vibrational frequency, equilibrium bond length, and the reduced molecular mass.

Original languageEnglish
Article number137583
JournalChemical Physics Letters
Volume753
DOIs
Publication statusPublished - Aug 16 2020

Keywords

  • Diatomic gaseous molecules
  • Molar entropy
  • Partition function

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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