Simulation of the dynamic packing behavior of preparative chromatography columns via discrete particle modeling
Simulation of the dynamic packing behavior of preparative chromatography columns via discrete particle modeling
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DOI：
10.1002/btpr.2210
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发表时间：
2016-03-01
影响因子：
2.9
通讯作者：
Hekmat, Dariusch
中科院分区：
文献类型：
--
作者：
Dorn, Martin;Hekmat, Dariusch
使用基于聚合物的、可压缩的多孔树脂的净化填充床色谱是用于纯化大分子生物产品的强有力的方法。在操作过程中，经常观察到复杂的、滞后的、因此依赖于历史的填充床行为，但是对原因的理论理解是有限的。因此，一个严格的建模方法的色谱柱上的颗粒尺度已考虑到颗粒间的微观力学和流体-颗粒相互作用的第一次。应用计算流体动力学（CFD）和离散单元法（DEM）建立了三维确定性模型。在计算机模拟和实验室实验中研究了流动或机械压缩过程中的柱填充行为。确定了两种压缩策略不同的明显轴向压缩-松弛曲线。压缩后，填充床中的空隙空间清晰可见。据推测，所观察到的床的不均匀性是因为在颗粒尺度的力链网络。该模拟令人满意地再现了关于填料压缩以及压力-流量依赖性的测量行为。此外，颗粒杨氏模量和颗粒壁摩擦以及颗粒间摩擦被确定为影响包装动力学的关键参数。结果表明，色谱床的压实是由于颗粒重排而不是颗粒变形。(c)2015年美国化学工程师学会生物技术。程序，32：363-371，2016
Preparative packed-bed chromatography using polymer-based, compressible, porous resins is a powerful method for purification of macromolecular bioproducts. During operation, a complex, hysteretic, thus, history-dependent packed bed behavior is often observed but theoretical understanding of the causes is limited. Therefore, a rigorous modeling approach of the chromatography column on the particle scale has been made which takes into account interparticle micromechanics and fluid-particle interactions for the first time. A three-dimensional deterministic model was created by applying Computational Fluid Dynamics (CFD) coupled with the Discrete Element Method (DEM). The column packing behavior during either flow or mechanical compression was investigated in-silico and in laboratory experiments. A pronounced axial compression-relaxation profile was identified that differed for both compression strategies. Void spaces were clearly visible in the packed bed after compression. It was assumed that the observed bed inhomogeneity was because of a force-chain network at the particle scale. The simulation satisfactorily reproduced the measured behavior regarding packing compression as well as pressure-flow dependency. Furthermore, the particle Young's modulus and particle-wall friction as well as interparticle friction were identified as crucial parameters affecting packing dynamics. It was concluded that compaction of the chromatographic bed is rather because of particle rearrangement than particle deformation. (c) 2015 American Institute of Chemical Engineers Biotechnol. Prog., 32:363-371, 2016