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

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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.

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Authors and Affiliations

  1. Department of Physics, College of Science, Sultan Qaboos University, P.O. Box 36, P. C. 123, Al-Khod, Muscat, Sultanate of Oman

    Ridha Horchani, Safa Al Shafii & Haikel Jelassi

  2. Institut Polytechnique des Sciences Avances Ecole d’Ingnieurs de l’Air et de l’Espace, Paris, France

    Hela Friha

  3. Research Laboratory on Energy and Matter for Nuclear Science Development (LR16CNSTN02), National Center for Nuclear Science and Technologies, Sidi Thabet Technopark 2020 Ariana, Sidi Thabet, Tunisia

    Haikel Jelassi

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  1. Ridha Horchani
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  2. Safa Al Shafii
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  4. Haikel Jelassi
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Correspondence to Ridha Horchani.

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Horchani, R., Shafii, S.A., Friha, H. et al. A Straightforward Model for Molar Enthalpy Prediction of CsO, CsF, and CsCl Molecules Via Shifted Tietz-Wei Potential. Int J Thermophys 42, 84 (2021). https://doi.org/10.1007/s10765-021-02839-4

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