Use of Simulated Annealing for Optimization of Chromatographic Separations

The effectiveness of a hybrid of simulated annealing (SA) and the simplex algorithm for optimization of a chromatographic separation has been examined. The method has been used to solve optimization problems for separations in batch and continuous chromatographic systems under isocratic and gradient conditions. To verify the robustness of the algorithm a variety of test problems have been solved. Different objective functions have been optimized subject to different optimization constraints for several operating conditions used as decision variables. The effectiveness of the hybrid procedure has been compared with that of a random search algorithm. The hybrid method proved particularly effective for multicondition optimization involving changes of mobile-phase composition. The method is rapid and robust in location of the global optimum. It does not, moreover, require initiation of the calculations with a “feasible point”, i.e. a point for which optimization constraints are met.