Development of a Computational Tool for the Analysis and Synthesis of Crystallization Processes

A computational tool integrated into a commercial simulation software (CHEMCAD) is developed for the analysis and synthesis of crystallization processes. The tool utilizes the comprehensive thermodynamic models and the rigorous computational algorithms available. The crystallization calculations are formulated as multicomponent multiphase equilibrium phase calculations and support the analysis of various modes of crystallization, such as cooling, evaporative, and the use of mass separating agents such as antisolvents and cosolvents. The tool is demonstrated with applications related to the crystallization of API’s and LCD crystals.