Chair of Separation Science and Technology, Friedrich-Alexander University Erlangen-Nuremberg, Egerlandstr. 3, 91058 Erlangen, Germany.
J Chromatogr A. 2012 May 18;1238:68-76. doi: 10.1016/j.chroma.2012.03.035. Epub 2012 Mar 24.
The selection of the mobile and the stationary phase in support-free liquid-liquid chromatography (centrifugal partition chromatography and counter-current chromatography) is equivalent to a selection of a biphasic liquid system and its global composition. There is an immense number of choices of biphasic liquid systems. On one hand what makes this technique extremely versatile, on the other hand turns the selection of the appropriate system for a particular separation problem into a challenging and demanding task. In this work a systematic procedure for the selection of biphasic liquid systems for preparative scale separations is presented. The procedure is adaptable to the production scale requirements including production cost and safety. The experimental effort of different stages of the selection procedure is minimized by using a fully predictive method, the conductor-like screening model for real solvents (COSMO-RS). The COSMO-RS is used to assess properties relevant for the selection of a biphasic liquid system, such as the solute solubility and the partition coefficient.
无支撑液-液色谱（离心分配色谱和逆流色谱）中流动相和固定相的选择等同于两相液相体系及其全局组成的选择。有大量的两相液相体系可供选择。一方面，这使得该技术具有极高的通用性，另一方面，将合适的体系选择用于特定的分离问题变成了一项具有挑战性和高要求的任务。在这项工作中，提出了一种用于制备规模分离的两相液相体系选择的系统方法。该方法可适应生产规模要求，包括生产成本和安全性。通过使用完全预测性方法，即用于真实溶剂的导体相似性屏蔽模型（COSMO-RS），最大限度地减少了选择过程不同阶段的实验工作量。COSMO-RS 用于评估与两相液相体系选择相关的性质，例如溶质溶解度和分配系数。
