Version 1
: Received: 29 December 2023 / Approved: 3 January 2024 / Online: 4 January 2024 (05:37:09 CET)
How to cite:
Horchani, R.; Al Kharusi, O.; Ikot, A.N.; Okorie, U.S.; Jelassi, H. Accurate Prediction of Thermodynamic Properties for Polyatomic Molecules. Preprints2024, 2024010249. https://doi.org/10.20944/preprints202401.0249.v1
Horchani, R.; Al Kharusi, O.; Ikot, A.N.; Okorie, U.S.; Jelassi, H. Accurate Prediction of Thermodynamic Properties for Polyatomic Molecules. Preprints 2024, 2024010249. https://doi.org/10.20944/preprints202401.0249.v1
Horchani, R.; Al Kharusi, O.; Ikot, A.N.; Okorie, U.S.; Jelassi, H. Accurate Prediction of Thermodynamic Properties for Polyatomic Molecules. Preprints2024, 2024010249. https://doi.org/10.20944/preprints202401.0249.v1
APA Style
Horchani, R., Al Kharusi, O., Ikot, A.N., Okorie, U.S., & Jelassi, H. (2024). Accurate Prediction of Thermodynamic Properties for Polyatomic Molecules. Preprints. https://doi.org/10.20944/preprints202401.0249.v1
Chicago/Turabian Style
Horchani, R., U. S. Okorie and Haikel Jelassi. 2024 "Accurate Prediction of Thermodynamic Properties for Polyatomic Molecules" Preprints. https://doi.org/10.20944/preprints202401.0249.v1
Abstract
We present a precise and universal method for anticipating the thermodynamic characteristics of polyatomic molecules. Unlike conventional computational approaches that rely on numerous experimental spectroscopy or calorimetry data, our model only utilizes a small number of molecular constants. We accurately predicted the values of entropy, enthalpy, specific heat, and Gibbs free energy for boron trifluoride, which were in excellent accordance with the available experimental data. This investigation introduces a new approach to deal with the anharmonic vibrations of polyatomic molecules
Copyright:
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
