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A simplified CFD model to describe fluid dynamics, mass transport and breakthrough curves performance in cryogel supports for chromatographic separation
Chemical Engineering Research and Design ( IF 3.9 ) Pub Date : 2021-12-30 , DOI: 10.1016/j.cherd.2021.12.044
Jamille C. Coimbra 1 , Marcio A. Martins 2 , Luis A. Minim 1
Affiliation  

Cryogel-based chromatographic supports have a wide application in the bioseparation field due to the versatility of synthesis and functionalization. This study proposes a simplification of classical models applied to cryogel beds that analyze many geometrical and structural properties at the channel level (thickness, tortuosity, diameter distribution, monoliths number, etc.) resulting in an over-parameterized formulation. The proposed modeling allowed for simplified calculations and reduced parameterization by not establishing the microstructural morphology of the cryogel. Using homogeneous modeling in which the porous medium is continuous, we obtained fast-solving simulations with reduced computational requirements that can be used for real-time control system. Initially, a polyacrylamide cryogel was produced and characterized in terms of morphological structure, fluid dynamic behavior and mass transport. Next, breakthrough curves predicted by Computational Fluid Dynamics (CFD) simulations were compared with experimental data. The applicability of the modeling approach was extended to a new data set obtained from the literature under different operational conditions for complete model validation. The modeling approach represented the experimental data very well, presenting viable descriptions of protein bioseparation.



中文翻译:

用于描述用于色谱分离的冷冻凝胶载体中的流体动力学、质量传递和突破曲线性能的简化 CFD 模型

由于合成和功能化的多功能性,基于冷冻凝胶的色谱载体在生物分离领域具有广泛的应用。本研究提出了一种适用于冷冻凝胶床的经典模型的简化,该模型分析了通道级别的许多几何和结构特性(厚度、曲折度、直径分布、单块数等),从而产生了过度参数化的公式。所提出的建模允许通过不建立冷冻凝胶的微观结构形态来简化计算并减少参数化。使用多孔介质连续的均匀建模,我们获得了可用于实时控制系统的计算要求降低的快速求解模拟。原来,生产了一种聚丙烯酰胺冷冻凝胶,并在形态结构、流体动力学行为和质量传输方面进行了表征。接下来,将计算流体动力学 (CFD) 模拟预测的突破曲线与实验数据进行比较。将建模方法的适用性扩展到在不同操作条件下从文献中获得的新数据集,以进行完整的模型验证。建模方法很好地代表了实验数据,提供了蛋白质生物分离的可行描述。将建模方法的适用性扩展到在不同操作条件下从文献中获得的新数据集,以进行完整的模型验证。建模方法很好地代表了实验数据,提供了蛋白质生物分离的可行描述。将建模方法的适用性扩展到在不同操作条件下从文献中获得的新数据集,以进行完整的模型验证。建模方法很好地代表了实验数据,提供了蛋白质生物分离的可行描述。

更新日期:2022-01-19
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