Abstract
An approach to estimating co-crystal sublimation thermodynamic characteristics has been developed. The thermodynamic functions of the formation process of 281 co-crystals have been obtained and analyzed.
Highlights
Co-crystallization has become an important research area in recent years because of the great potential of fine-tuning the physical properties of multi-component crystal components
One of the approaches relies on crystal structure prediction (CSP) using anisotropic potential[11,12] and quick methods of energy estimation based on molecular electrostatic potential surfaces.[13]
We proposed an approach[36] to estimating the thermodynamic characteristics of twocomponent crystal formation based on the melting temperatures of the co-crystal and its individual components, as well as on the analysis of the sublimation thermodynamic characteristics of the individual substances
Summary
Co-crystallization has become an important research area in recent years because of the great potential of fine-tuning the physical properties of multi-component crystal components. Hansen solubility parameters were recently used to describe the miscibility of APIs and coformers to predict co-crystal formation in order to guide co-crystal screening.[15] An essential fault of all these approaches is that they analyze the enthalpic characteristics of co-crystal formation, while the entropic terms are not taken into account. The existence of such approaches can be attributed to the fact that there are almost no experimental data about the Gibbs energies of co-crystal formation. We tried to present and justify a general scheme/algorithm for estimating the thermodynamic stability of any co-crystal of interest
Sign-in/Register to view highlights & summary Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
