TY - JOUR
T1 - A Straightforward Model for Molar Enthalpy Prediction of CsO, CsF, and CsCl Molecules Via Shifted Tietz-Wei Potential
AU - Horchani, Ridha
AU - Shafii, Safa Al
AU - Friha, Hela
AU - Jelassi, Haikel
N1 - Publisher Copyright:
© 2021, The Author(s), under exclusive licence to Springer Science+Business Media, LLC, part of Springer Nature.
PY - 2021/6
Y1 - 2021/6
N2 - 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.
AB - 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.
KW - Diatomic gaseous molecules
KW - Molar enthalpy
KW - Partition function
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U2 - 10.1007/s10765-021-02839-4
DO - 10.1007/s10765-021-02839-4
M3 - Article
AN - SCOPUS:85103830433
SN - 0195-928X
VL - 42
JO - International Journal of Thermophysics
JF - International Journal of Thermophysics
IS - 6
M1 - 84
ER -