Zhang Yan, Hidajat Kus, Ray Ajay K
Department of Chemical and Biomolecular Engineering, National University of Singapore, 10 Kent Ridge Crescent, Singapore 119260, Singapore.
J Chromatogr A. 2006 Oct 27;1131(1-2):176-84. doi: 10.1016/j.chroma.2006.07.052. Epub 2006 Aug 17.
In this paper, inverse method (IM) was used to determine the binary competitive adsorption isotherm of pindolol enantiomers by a least-square fitting of the proposed model to the experimentally measured elution curves of racemic pindolol. The isotherm parameters were determined by minimizing the least-square error using an adaptation of genetic algorithm, non-dominated sorting genetic algorithm with jumping genes (NSGA-II-JG). An equilibrium dispersive (ED) model combined with bi-Langmuir isotherm was used in predicting the elution profiles. The determined parameters show good agreement with the experimental profiles at various experimental conditions such as sample volume, concentration and flow rates of the racemic mixture. Robustness and validity of the isotherm parameters were also verified by frontal analyses at various step inputs. Results from both the pulse tests and the frontal analysis indicate that adsorption isotherm derived from the inverse method is quite reliable. This method requires relatively less number of experiments to be performed and therefore, lower experimental costs confirming that inverse method is an attractive alternative approach of experimental technique in determining the competitive adsorption isotherm for binary systems.
本文采用逆方法(IM),通过将所提出的模型与外消旋吲哚洛尔的实验测量洗脱曲线进行最小二乘拟合,来确定吲哚洛尔对映体的二元竞争吸附等温线。使用遗传算法的一种改进方法——带跳跃基因的非支配排序遗传算法(NSGA-II-JG),通过最小化最小二乘误差来确定等温线参数。采用结合双朗缪尔等温线的平衡分散(ED)模型来预测洗脱曲线。所确定的参数在各种实验条件下,如外消旋混合物的样品体积、浓度和流速,与实验曲线显示出良好的一致性。等温线参数的稳健性和有效性也通过各种阶跃输入下的前沿分析得到了验证。脉冲测试和前沿分析的结果均表明,通过逆方法得到的吸附等温线相当可靠。该方法需要进行的实验数量相对较少,因此实验成本较低,这证实了逆方法是确定二元体系竞争吸附等温线的一种有吸引力的实验技术替代方法。