Estimation of secondary nucleation kinetics of benzoic acid in batch crystallizer

IF 4.1 2区材料科学 Q2 ENGINEERING, CHEMICAL Particuology Pub Date : 2023-09-03 DOI:10.1016/j.partic.2023.08.008

Yan Zhao , Weiyuan Zhang , Jinbo Ouyang , Guangyang Hou , Vamsi Krishna Kamaraju , Brian Glennon

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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.

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间歇式结晶器中苯甲酸二次成核动力学的估计

用种群平衡模型确定了苯甲酸的成核和生长动力学，描述了种子批式抗溶剂结晶过程。利用过程分析技术(PATs)记录了固相中弦长分布(CLDs)的演变和液相中浓度的衰减，为参数估计提供了必要的实验信息。基于CLDs和溶质浓度计算的矩量，采用标准矩量法求解模型。通过拟合粒子的零矩和浓度趋势，建立了一个将成核和晶体生长作为过饱和和溶剂组成函数的模型。通过不同流速下的实验验证了所确定的动力学参数，表明所建立的模型能较好地预测结晶过程。本工作阐明了构建种群平衡模型的策略，为苯甲酸在抗溶剂结晶过程中的进一步模拟、基于模型的优化和控制研究奠定了基础。

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来源期刊

Particuology 工程技术-材料科学：综合

CiteScore

6.70

自引率

2.90%

发文量

1730

审稿时长

32 days

期刊介绍： The word ‘particuology’ was coined to parallel the discipline for the science and technology of particles. Particuology is an interdisciplinary journal that publishes frontier research articles and critical reviews on the discovery, formulation and engineering of particulate materials, processes and systems. It especially welcomes contributions utilising advanced theoretical, modelling and measurement methods to enable the discovery and creation of new particulate materials, and the manufacturing of functional particulate-based products, such as sensors. Papers are handled by Thematic Editors who oversee contributions from specific subject fields. These fields are classified into: Particle Synthesis and Modification; Particle Characterization and Measurement; Granular Systems and Bulk Solids Technology; Fluidization and Particle-Fluid Systems; Aerosols; and Applications of Particle Technology. Key topics concerning the creation and processing of particulates include: -Modelling and simulation of particle formation, collective behaviour of particles and systems for particle production over a broad spectrum of length scales -Mining of experimental data for particle synthesis and surface properties to facilitate the creation of new materials and processes -Particle design and preparation including controlled response and sensing functionalities in formation, delivery systems and biological systems, etc. -Experimental and computational methods for visualization and analysis of particulate system. These topics are broadly relevant to the production of materials, pharmaceuticals and food, and to the conversion of energy resources to fuels and protection of the environment.