RP—HPLC流动相组成优化方法的研究及其专家系统的建造

本文提出了一种既便于自动求值,又不致产生歧义的色谱分离优化目标函数。对于反相高效液相色谱RP-HPLC流动相组成优化问题,提出了新的高效迭代方法,并建立了组成优化专家系统。该系统包括优化搜索区域确定、实验谱图辨识、保留特性关系的自适应回归和最优目标预测等功能。经实验验证,该系统具有较高的迭代搜索效率。

Researches on Optimization of Mobile-Phase Composition in RP-HPLC and Building of the Expert System

In the paper, a specific criterion function, which is convenient for automatic computation and appropriate for portraying the chromatography, was suggested. For the optimization problem of mobile-phase composition in RP-HPLC, an efficient iteration regression method was proposed, and an expert system for optimization mobile-phase composition was coded in C language, which included the determination of optimal search range, the identification of chromatograms, the adaptive regression analysis for retention properties and the prediction of optimal goal and so on. The programmed system was proved to be working properly through a series of experimental versus numerical runs.