Theory of melting of molecular crystals within the new modified model: The complete pictures of the transition temperatures

Abstract

The new modified form of the Pople–Karasz theory of melting of molecular crystals was introduced and applied to investigate the thermodynamics of melting, solid–solid, solid–nematic and nematic–isotropic liquid transitions in the previous papers. In this paper, we give the complete pictures of the transition temperatures and compare with the original Pople–Karasz (PK) theory and its previous modified theories. We also found that the new modified model also gives a much better agreement with available experimental data for the solid–nematic transition than the PK and its previous modified theories by using the different adjustable parameters.