Modeling semi-batch reactive crystallization processes for particle sizecontrol and process scale-up

Reactive crystallization is a process commonly used for the production of chemical compounds including pharmaceutical ingredients. In a stirred-tank setup, one reagent solution stream is injected into the reactor where it meets a sitting solution of the other reagent. Reaction occurs as soon as the reagents meet, forming an insoluble product which quickly precipitates in the form of crystal particles. Distribution of the crystal particle size is controlled by the coupling between fluid mixing, reaction, and crystal formation and growth, which is of vital importance to product quality control. Simphilia is a technical consulting company interested in strengthening its capability of modeling such processes and predicting their outcomes, in order to better help its clients to achieve consistent particle size control. The proposed work will contribute to this goal by developing a comprehensive model that combines first principles with a data-driven approach.

Faculty Supervisor:

Prashant Mhaskar


Lu Zhu


Simphilia Technology & Analytics Inc.


Engineering - chemical / biological




McMaster University



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