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Thermodynamic Predictions of Physical Properties – Prediction of Solid Solutions in Molecular Solutes Exhibiting Polymorphism
Author(s) -
Coquerel G.
Publication year - 2006
Publication title -
chemical engineering and technology
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.403
H-Index - 81
eISSN - 1521-4125
pISSN - 0930-7516
DOI - 10.1002/ceat.200500377
Subject(s) - polymorphism (computer science) , thermodynamics , solid solution , lattice energy , chemistry , solvent , molecular solid , materials science , crystallography , molecule , organic chemistry , crystal structure , physics , biochemistry , genotype , gene
Polymorphism is a widespread phenomenon among molecular components, and usually the lattice energies of the different varieties are rather 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 modify the energy landscape between polymorphs. Fluctuations in the transition temperatures lead to the prediction of the existence of solid solutions.