Estimation of secondary nucleation kinetics of benzoic acid in batch crystallizer

The nucleation and growth kinetics of benzoic acid were determined in a population balance model, describing the seeded batch antisolvent crystallization process. The process analytical technologies (PATs) were utilized to record the evolution of chord length distributions (CLDs) in solid phase together with the concentration decay in liquid phase, which provided essential experimental information for parameter estimation. The model was solved using standard method of moments based on the moments calculated from CLDs and solute concentration. A developed model, incorporating the nucleation and crystal growth as functions of both supersaturation and solvent composition, has been constructed by fitting the zeroth moment of particles and concentration trends. The determined kinetic parameters were consequently validated against a new experiment with a different flow rate, indicating that the developed model predicted crystallization process reasonably well. This work illustrates the strategy in construct a population balance model for further simulation, model-based optimization and control studies of benzoic acid in antisolvent crystallization.(c) 2023 Published by Elsevier B.V. on behalf of Chinese Society of Particuology and Institute of Process Engineering, Chinese Academy of Sciences.

Automated summary

The nucleation and growth kinetics of benzoic acid were studied in a population balance model. The experimental information obtained using process analytical technologies was used for parameter estimation. A developed model incorporating supersaturation and solvent composition as factors accurately predicted the crystallization process. This work provides a foundation for further simulation, optimization, and control studies of benzoic acid in antisolvent crystallization.