PREOPT-W: A simulation program for off-line optimization of binary gradient separations in HPLC .1. Fundamentals and overview

Computer-aided optimization of HPLC separations continues to be an important research and practical topic after more than a decade of intensive research. Off-line optimization schemes appear at this moment the more valuable tools provided sufficiently accurate simulation models of peak retention and other characteristics are available. In this series of four papers the fundamentals, theoretical basis and capabilities of one of these off-line approaches, the so-called PREOPT-W program, aimed at the optimization of stepwise binary gradient separations, are presented. This first part introduces most of the program capabilities and characteristics. Part II will be devoted to data management and, finally, Parts III and IV will explore isocratic and binary gradient separations' optimization with the help of PREOPT-W making use of several selected real examples.