Separation optimization of aniline and seven 4‐substituted anilines in high‐submicellar liquid chromatography using empirical retention modeling and Derringer's desirability function

Abstract

The separation optimization of aniline and seven 4-substituted derivatives in high-submicellar LC was performed using an interpretive optimization strategy and Derringer's desirability function. Description of the retention of solutes was carried out through several hyperbolic and logarithmic retention models using the retention data of five mobile phases of SDS (0.06-0.12 M) and methanol (50-70% v/v) at pH 3. Among the investigated models, a logarithmic retention model logk=c0+c1φ+c2[S]+c12φ[S]+d12(φ[S])0.5 showed the best prediction capability and was used to predict the solute retention factors. A grid search program was used to calculate the retention times of each solute, based on the best retention model, for all combinations of SDS and methanol concentrations in the factor space. Two different chromatographic goals, analysis time and retention differences between adjacent peaks, were evaluated simultaneously using Derringer's desirability function for each mobile phase conditions in the grid search. Optimal mobile phase composition for separation of eight anilines was found to be 0.119 M SDS and 53% v/v methanol. Under these conditions, full resolutions with a reasonable analysis time (22 min) were obtained. At the optimal condition, a good agreement was observed between predicted and experimental values of the retention times.