Several modeling techniques have been applied to describe mass transfer and adsorption in a cryogel column for chromatographic separations. Nevertheless, complex boundaries of this spongy matrix where the fluid dynamics, mass transport and reaction equations render such simulations of high computational resource requirements. Thus, this work proposed a fast-solving and robust simulations to analyze the field velocity and the concentration/adsorption profiles in unsteady state varying flow velocity and axial dispersion. Four proposals for monolith geometry with distinct tortuosities were suggested to evaluate the influence of channel architecture on transport phenomena. Breakthrough curves predicted by the Navier Stokes equations for monolithic channels were compared with those predicted by the Darcy equations for the cryogel column. The CFD model can be accepted as the soft sensor with feasible descriptions of more complex models. Experimental and predicted breakthrough curves presented good correlation with R2 values of 0.99 for channels in the triangular format and tortuosity of 1.12, which represented the monolithic architecture properly.

中文翻译：

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整体色谱柱的流动曲线和传质分析：通道和曲折的几何影响

已应用多种建模技术来描述用于色谱分离的冷冻凝胶柱中的传质和吸附。然而，这个海绵矩阵的复杂边界，其中流体动力学、质量传输和反应方程呈现高计算资源需求的这种模拟。因此，这项工作提出了一种快速求解和稳健的模拟，以分析非稳态变化流速和轴向扩散下的场速度和浓度/吸附曲线。提出了四种具有不同曲折度的整体几何形状的建议，以评估通道结构对传输现象的影响。将 Navier Stokes 方程预测的用于整体通道的突破曲线与 Darcy 方程预测的冷冻凝胶柱进行比较。CFD 模型可以被接受为具有更复杂模型的可行描述的软传感器。实验和预测的突破曲线与三角形格式的通道的 R2 值 0.99 和曲折度 1.12 具有良好的相关性，这正确地代表了整体架构。