Accurate and general model to predict molar entropy for diatomic molecules
R. Horchani, Haikel Jelassi
Abstract
We present an accurate and a general model to predict the molar entropy of gaseous diatomic molecule substances. The proposed model is derived from the use of the partition function and shows an excellent agreements 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 is less than 0.3%.
Topics & Concepts
Diatomic moleculeMoleculeAbsolute deviationThermodynamicsChemistryRelative standard deviationEntropy (arrow of time)MolarPrinciple of maximum entropyStatistical physicsPhysicsMathematicsStatisticsGeologyChromatographyOrganic chemistryPaleontologyDetection limitChemical Thermodynamics and Molecular StructurePhase Equilibria and ThermodynamicsAdvanced Chemical Physics Studies