Abstract

The determination and description of adsorption equilibria is critical for the design of several separation processes. In some instances, the dependence of the solid phase loading on the fluid phase concentration is complex and it is difficult to find a suitable functional form to represent the adsorption equilibria. This difficulty can be overcome by the use of discrete equilibrium data, i.e., using the experimental data of solid phase loadings and the corresponding fluid phase concentrations in its discrete form, without the use of a functional form to describe the adsorption isotherms. In this work we demonstrate how discrete equilibrium data can be used to predict binary competitive equilibria using the ideal adsorbed solution theory. Two approximations to generate data outside the range of measured values are proposed. The effectiveness of these methods in predicting competitive equilibria and elution profile of binary injections is demonstrated using numerical simulations. The application of this framework to estimate the regions of achievable separation for a multi-column simulated moving bed chromatographic separation is also discussed.

中文翻译：

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使用离散平衡数据为二元非线性色谱建模

摘要

吸附平衡的确定和描述对于几种分离方法的设计至关重要。在某些情况下，固相负载对液相浓度的依赖性很复杂，很难找到合适的功能形式来表示吸附平衡。可以通过使用离散的平衡数据，即使用固相载荷和离散形式的相应液相浓度的实验数据，而无需使用功能性形式描述吸附等温线来克服这一困难。在这项工作中，我们演示了如何使用理想的吸附溶液理论，将离散的平衡数据用于预测二元竞争平衡。提出了两种近似方法来生成测量值范围之外的数据。使用数值模拟证明了这些方法在预测二元注射液的竞争平衡和洗脱曲线方面的有效性。还讨论了该框架在估算多柱模拟移动床色谱分离中可实现分离区域方面的应用。