A Straightforward Model for Molar Enthalpy Prediction of CsO, CsF, and CsCl Molecules Via Shifted Tietz-Wei Potential

Ridha Horchani*, Safa Al Shafii, Hela Friha, Haikel Jelassi

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

5 Citations (Scopus)

Abstract

We report a four-parameter analytical representation to target the prediction of the molar enthalpy of gaseous diatomic molecule substances. The predicted molar enthalpy is in excellent agreement with the experimental data in a wide range of temperature for CsO, CsF, and CsCl molecules. In the temperature range from 100 to 6000 K, the average relative deviations of the predicted values from the National Institute of Standards and Technology database are 1.72% , 1.52% , and 2.86% for CsO, CsF, and CsCl molecules, respectively. The present model requires only to know the experimental values of four parameters which are dissociation energy, equilibrium vibrational frequency, equilibrium bond length, and the reduced molecular mass. It represents a satisfactory compromise between accuracy and rapid computation.

Original languageEnglish
Article number84
JournalInternational Journal of Thermophysics
Volume42
Issue number6
DOIs
Publication statusPublished - Jun 2021

Keywords

  • Diatomic gaseous molecules
  • Molar enthalpy
  • Partition function

ASJC Scopus subject areas

  • Condensed Matter Physics

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