Multi-component analysis using OPKINE, a program for the non-linear treatment of kinetic problems

Abstract

The performance of OPKINE, a program for the non-linear treatment of complex kinetic problems, was studied in connection with its possible analytical applications. The Runge-Kutta-Gill integration method, a random search Monte Carlo procedure and the simplex, Davidon-Fletcher-Powell and Gauss-Newton-Marquardt optimisation methods, in their original and modified versions, are included in OPKINE. Up to 20 kinetic curves, with up to 400 points each, can be treated to evaluate up to 40 parameters. The ability of OPKINE to deal with analytical problems was checked by using simulated experiments. The analysis of complex mixtures, with similar values of the rate constants and large differences in the contributions of the analytes to the monitored signal, and in the presence of side-reactions, can be performed with good accuracy and precision.