高效液相色谱中多元流动相最佳配比的计算机预测

COMPUTER-AIDED PREDICTION OF OPTIMAL COMROSI TION OF MULTICOMPONENT MOBILE PHASE IN HIGH PERFORMANCE LIQUID CHROMATOGRAPHY

根据液相色谱中保留值基本方程和半峰宽规律,提出了一个新的色谱响应函数并改良了复合形寻优算法,建立了一套用计算机寻求多元流动相最佳配比的方法体系,解决了整体最优化问题。运用本文建立的寻优方法确定了四个维生素药物和三个硝基苯酚异构体的最佳分离条件,实验保留值与预测值完全一致。

This paper proposed a systematic optimizing method for the composi-tion of multicomponent mobile phase in high performance liquid chromatography. A newchromatographic response function (CRF) has been constructed according to the funda-mental retention equation and rule of peak width at half-height, and theoptimalcomposition of multicomponent mobile phase can be automatically predicted by acomputer with CRF. This paper improved the known complex method, therefore, theoptimal mobile phase composition in the global area may be found by means of this modi-fied complex method. The optimal separation conditions of four vitamins and threenitrophenols were determined by use of the optimizing method reported in this paper. Theresults predicted by the computer were verified by the experimental data obtained inHPLC using ternary mobile phase.