THERMODYNAMIC PREDICTIONS OF PHYSICAL PROPERTIES: Prediction of solid solutions in molecular solutes exhibiting polymorphism

摘要

Polymorphism is a widespread phenomenon among molecular components and usually the lattice energies of the different varieties are pretty close. It is shown that solid solutions by means of insertion (e.g. due to solvent) or by means of substitution (e.g. due to derivatives of the components) can substantially modified the landscape of energy between the polymorphs. Conversely, fluctuations in the temperatures of transition lead to predict the existence of solid solutions.