Computer Aided Design of Solvent Blends for Hybrid Cooling and Antisolvent Crystallization of Active Pharmaceutical Ingredients

Choosing a solvent and an antisolvent for new crystallization process is challenging due to the sheer number of possible mixtures impact composition temperature on performance. To facilitate this choice, we present general computer aided mixture/blend design (CAMbD) formulation optimal pharmaceutical products. The proposed methodology enables simultaneous identification temperature, solvent, antisolvent, mixture. SAFT-? Mie group-contribution approach used in solvents; based equilibrium model, both crystal yield consumption are considered. implemented gPROMS applied lovastatin ibuprofen, where hybrid combining cooling compared each method alone. For lovastatin, use leads increase or crystallization. Furthermore, it seen that using less volatile but powerful solvents at lower temperatures can lead better When considering techniques provide similar performance, throughout critical maximizing yields minimizing consumption. We show our more rational blends brings significant benefits processes chemical manufacturing.