A simplified CFD model to describe fluid dynamics, mass transport and breakthrough curves performance in cryogel supports for chromatographic separation

Abstract

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.