Computer-Assisted Optimization of pH and Ion Concentration Selectivity in HPLC Using a Mixture Design Simplex Method

Abstract

A computer-assisted mixture design simplex method is presented for optimization of two-factor (pH and ion concentration) simultaneous selectivity for the optimal separation in reversed-phase HPLC. The method is based on two-factor selectivity rectangle concept with a special polynomial estimated from nine preliminary runs. Then connect to general simplex method for optimization. Double criteria simulation system (DCSS) is established for the measurement of chromatographic performance by this method. The validity of the optimization strategy is proved by applying it to an actual mixture and as compared with the general simplex method about thirty eight experiments can be omitted.