Application of Phase Diagrams in Co-crystal Search and Preparation

Application of Phase Diagrams in Co-crystal Search and Preparation 

Solvias AG, Department for Solid-State Development, Romerpark 2, 4303 Kaiseraugst, Switzerland 

Thermodynamic considerations offer a complementary approach for targeted co-crystal search and development. They can provide selection criteria for suitable co-crystal formers and can also help to predict the most promising preparation conditions. This includes the potential to reduce the experimental effort in co-crystal search and crystallization optimization significantly. Phase 

With the above assumptions the condition of thermodynamic equilibrium between the solid and the liquid phase leads to the following equations for the liquidus of each component or compound  

Component A was assumed to be a given substance with fixed thermodynamic properties, that is, melting enthalpy, melting entropy, and (along with this) melting point. The enthalpy and entropy of crystallization of the co-crystal were set to a constant value as well, whereas the thermodynamic parameters of the co-crystal former B have been varied. 

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