PREOPT-W: Off-line optimization of binary gradient separations in HPLC by simulation .4. Phase 3

Off-line gradient optimization by means of the PREOPT-W simulation program is described and illustrated with examples based on real data. The influence of the main factors such as the type of simplex strategy used, optimization objective function and gradient duration as well as other minor, although important, factors like the definition of initial gradient shape and advances used in the design of the initial simplex are discussed. Additional features of the simulation program such as vertex revision and gradient manipulator are also outlined, emphasizing the multiple possibilities at the hands of the chromatographer when developing a gradient separation for very complex mixtures with the help of PREOP-W. (C) 1996 Elsevier Science Ltd