Estimation of secondary nucleation kinetics of benzoic acid in batch crystallizer--颗粒学报PARTICUOLOGY

Zhao, Y., Zhang, W., Ouyang, J., Hou, G., Kamaraju, V. K., & Glennon, B. (2024). Estimation of secondary nucleation kinetics of benzoic acid in batch crystallizer. Particuology, 87, 232-239. https://doi.org/10.1016/j.partic.2023.08.008

Estimation of secondary nucleation kinetics of benzoic acid in batch crystallizer

Yan Zhao ^{a b *}, Weiyuan Zhang ^a, Jinbo Ouyang ^c, Guangyang Hou ^d *, Vamsi Krishna Kamaraju ^c, Brian Glennon ^{b d *}

a School of Chemical Engineering, Hebei Normal University of Science and Technology, Qinhuangdao, 066004, China
b Synthesis and Solid State Pharmaceutical Centre, School of Chemical and Bioprocess Engineering, University College Dublin, Dublin 4, Ireland
c Jiangxi Province Key Laboratory of Polymer Micro/Nano Manufacturing and Devices, East China University of Technology, Nanchang, 330013, China
d APC Ltd, Dublin 4, Ireland

10.1016/j.partic.2023.08.008

Volume 87, April 2024, Pages 232-239

Received 17 April 2023, Revised 17 August 2023, Accepted 19 August 2023, Available online 3 September 2023, Version of Record 15 September 2023.

E-mail: zhaoyan417@hotmail.com; guangyang.hou1@gmail.com; brian.glennon@ucd.ie

Highlights

• Antisolvent crystallization of benzoic acid in semi batch crystallizer.

• Population balance models based on different supersaturation expressions are considered.

• Secondary nucleation and growth kinetics incorporating solvent composition are estimated.

• The identified secondary and growth kinetics of benzoic acid is validated experimentally.

Abstract

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.

Graphical abstract

Keywords

Benzoic acid; Antisolvent crystallization; Population balance equation; Nucleation; Growth

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