逆流色谱溶剂体系选择的溶液理论模型

Solution theory model for selection of solvent system in countercurrent chromatography

从溶液理论出发，建立一个预测和选择逆流色谱溶剂体系的模型，预测了影响分离效果的两相分相情况、两相相比、密度、界面张力等因素，并估算了溶质的分离情况。用文献值和实验值对预测结果进行了检验，结果表明，各参数的预测结果较好，溶质分离情况的估算可指导确定溶质的出峰顺序。

A swift and accurate selection of the solvent system is of great importance for the enhancement of the capacity and performance of countercurrent chromatography. Based on nonelectrolyte solution theory, a calculation model has been established for the prediction and selection of the solvent system. UNIFAC group contribution method is used for the calculation of activity coefficients. According to the thermodynamic criterion, it is determined whether there is a phase split in a solvent system with known total composition. If it is, the equilibrium compositions of both phases are calculated. The physical properties of both phases including density, viscosity, dielectric constant as well as the interfacial tension between the phases are calculated. An attempt is made for the estimation of the partition coefficient of a solute and the separation coefficients among the solutes. Results have been proved by the experiments and literature data.