CFD-population balance modelling for a flat sheet membrane-assisted antisolvent crystallization

IF 3.5 3区 工程技术 Q1 MATHEMATICS, APPLIED Finite Elements in Analysis and Design Pub Date : 2024-05-08 DOI:10.1016/j.finel.2024.104182
Saad Sulttan , Sohrab Rohani
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Abstract

A comprehensive model has been developed to couple CFD with the population balance equation (PBE) for a flat sheet membrane-assisted antisolvent crystallization (FS-MAAC) process. The model accurately depicts the fluid dynamics, mass transfer, heat transfer and crystal size distribution (CSD) in the FS-MAAC crystallizer. The crystallization system considered was to produce α-form crystals of glycine. The model investigates the effects of different parameters, such as the velocities of the crystallizing and antisolvent solutions, antisolvent composition, temperature, and gravity. A good agreement was observed between the simulation results and experimental data for the α-form crystals of glycine. The simulation results show a steady-state antisolvent concentration profile in the liquid layer and varied only in the z-direction. Regardless of the variations in the velocity of either the antisolvent solution or the crystallizing solution, the CSD remained narrow, with mean crystal sizes ranging from 27 to 40 μm. Furthermore, increasing mass transfer through the antisolvent transmembrane flux leads to a narrower CSD. Slower antisolvent permeation rates at higher temperatures also promote crystal growth. Also, a narrow CSD is maintained regardless of the initial circulation position of the antisolvent solution. In conclusion, membrane antisolvent crystallization provides a reliable and consistent solution for obtaining crystals with desired CSD under optimal operating conditions.

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平板膜辅助反溶剂结晶的 CFD 人口平衡建模
针对平片膜辅助反溶剂结晶(FS-MAAC)过程,开发了一种将 CFD 与种群平衡方程(PBE)相结合的综合模型。该模型准确描述了 FS-MAAC 结晶器中的流体动力学、传质、传热和晶体尺寸分布 (CSD)。考虑的结晶系统是生产甘氨酸的 α 形晶体。该模型研究了不同参数的影响,如结晶溶液和反溶剂溶液的速度、反溶剂成分、温度和重力。对于甘氨酸的 α 形晶体,模拟结果与实验数据之间具有良好的一致性。模拟结果显示,液层中的反溶剂浓度曲线处于稳定状态,仅在 Z 方向上有所变化。无论反溶剂溶液或结晶溶液的速度如何变化,CSD 仍然很窄,平均晶体尺寸在 27 到 40 μm 之间。此外,通过反溶剂跨膜通量增加传质也会导致 CSD 变窄。在较高温度下,较慢的反溶剂渗透率也会促进晶体生长。此外,无论抗溶剂溶液的初始循环位置如何,都能保持较窄的 CSD。总之,膜反溶剂结晶提供了一种可靠而稳定的解决方案,可在最佳操作条件下获得具有所需 CSD 的晶体。
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来源期刊
CiteScore
4.80
自引率
3.20%
发文量
92
审稿时长
27 days
期刊介绍: The aim of this journal is to provide ideas and information involving the use of the finite element method and its variants, both in scientific inquiry and in professional practice. The scope is intentionally broad, encompassing use of the finite element method in engineering as well as the pure and applied sciences. The emphasis of the journal will be the development and use of numerical procedures to solve practical problems, although contributions relating to the mathematical and theoretical foundations and computer implementation of numerical methods are likewise welcomed. Review articles presenting unbiased and comprehensive reviews of state-of-the-art topics will also be accommodated.
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